N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide

C13H11ClFNO2S — CID 47308992

IUPACN-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H11ClFNO2S/c1-9-6-7-10(15)8-13(9)19(17,18)16-12-5-3-2-4-11(12)14/h2-8,16H,1H3
InChIKeyXIMFNKWDKRNRKY-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.59
Rot. Bonds3

About N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide

N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 47308992) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID47308992
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC NameN-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H11ClFNO2S/c1-9-6-7-10(15)8-13(9)19(17,18)16-12-5-3-2-4-11(12)14/h2-8,16H,1H3
InChIKeyXIMFNKWDKRNRKY-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 87027257
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide (CID 47308992) is N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is XIMFNKWDKRNRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c1-9-6-7-10(15)8-13(9)19(17,18)16-12-5-3-2-4-11(12)14/h2-8,16H,1H3.
What are the key properties of N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 299.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 47308992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).