N-(3-fluorophenyl)-N-methylbenzenesulfonamide

C13H12FNO2S — CID 64585359

IUPACN-(3-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12FNO2S/c1-15(12-7-5-6-11(14)10-12)18(16,17)13-8-3-2-4-9-13/h2-10H,1H3
InChIKeyZTKQTUJYJYHUCV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.65
Rot. Bonds3

About N-(3-fluorophenyl)-N-methylbenzenesulfonamide

N-(3-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 64585359) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID64585359
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC NameN-(3-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12FNO2S/c1-15(12-7-5-6-11(14)10-12)18(16,17)13-8-3-2-4-9-13/h2-10H,1H3
InChIKeyZTKQTUJYJYHUCV-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 91758496
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 75436098
3-fluoro-N,N-diphenylbenzenesulfonamide
CID 23881981
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62157049
6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 64600904
3-[benzenesulfonyl(methyl)amino]benzenecarbothioamide
CID 62969302
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-methylbenzenesulfonamide (CID 64585359) is N-(3-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-methylbenzenesulfonamide is CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is ZTKQTUJYJYHUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-15(12-7-5-6-11(14)10-12)18(16,17)13-8-3-2-4-9-13/h2-10H,1H3.
What are the key properties of N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
N-(3-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 265.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 64585359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).