N-(4-fluoro-2-methylphenyl)benzenesulfonamide

C13H12FNO2S — CID 6470682

IUPACN-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12FNO2S/c1-10-9-11(14)7-8-13(10)15-18(16,17)12-5-3-2-4-6-12/h2-9,15H,1H3
InChIKeyDQHJVEAZLWHUOH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.93
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)benzenesulfonamide

N-(4-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 6470682) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID6470682
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC NameN-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12FNO2S/c1-10-9-11(14)7-8-13(10)15-18(16,17)12-5-3-2-4-6-12/h2-9,15H,1H3
InChIKeyDQHJVEAZLWHUOH-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186982
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)benzenesulfonamide (CID 6470682) is N-(4-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)benzenesulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is DQHJVEAZLWHUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-10-9-11(14)7-8-13(10)15-18(16,17)12-5-3-2-4-6-12/h2-9,15H,1H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
N-(4-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 265.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 6470682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).