UR1

3-fluoro-5-methylbenzene-1-sulfonamide

Created:	2020-05-27
Last modified:	2020-06-10

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4 entries where UR1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of UR1

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Chemical Component Summary
Name	3-fluoro-5-methylbenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	3-fluoranyl-5-methyl-benzenesulfonamide
Formula	C₇ H₈ F N O₂ S
Molecular Weight	189.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(S(N)(=O)=O)cc(C)cc1F
SMILES	CACTVS	3.385	Cc1cc(F)cc(c1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)S(=O)(=O)N)F
Canonical SMILES	CACTVS	3.385	Cc1cc(F)cc(c1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)S(=O)(=O)N)F
InChI	InChI	1.03	InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey	InChI	1.03	RMTMZIARFLDIKQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71755944

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