4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide

C13H13FN2O2S — CID 110752600

IUPAC4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2cccnc2)ccc1F
InChIInChI=1S/C13H13FN2O2S/c1-10-8-12(5-6-13(10)14)19(17,18)16(2)11-4-3-7-15-9-11/h3-9H,1-2H3
InChIKeyOGGNLBVPPQNQST-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.35
Rot. Bonds3

About 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide

4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 110752600) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID110752600
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2cccnc2)ccc1F
InChIInChI=1S/C13H13FN2O2S/c1-10-8-12(5-6-13(10)14)19(17,18)16(2)11-4-3-7-15-9-11/h3-9H,1-2H3
InChIKeyOGGNLBVPPQNQST-UHFFFAOYSA-N
XLogP2.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752603
4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752641
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110752869
3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
3-fluoro-4-[methyl(pyridin-3-yl)sulfamoyl]benzoic acid
CID 79177916
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
N-(6-amino-3-pyridinyl)-N-methylpyridine-3-sulfonamide
CID 115274544
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
3-[methyl(pyridin-3-ylsulfonyl)amino]benzenecarbothioamide
CID 62969653
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
3-[(3-chlorophenyl)-methylsulfamoyl]-N-propan-2-yl-N-pyridin-3-ylbenzamide
CID 86847643

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide (CID 110752600) is 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)c2cccnc2)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is OGGNLBVPPQNQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-10-8-12(5-6-13(10)14)19(17,18)16(2)11-4-3-7-15-9-11/h3-9H,1-2H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 110752600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).