N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide

C14H13ClFNO2S — CID 100503345

IUPACN-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO2S/c1-10-3-4-11(15)9-14(10)17(2)20(18,19)13-7-5-12(16)6-8-13/h3-9H,1-2H3
InChIKeyWEQRCPFBMUPZPE-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.61
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide

N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 100503345) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID100503345
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO2S/c1-10-3-4-11(15)9-14(10)17(2)20(18,19)13-7-5-12(16)6-8-13/h3-9H,1-2H3
InChIKeyWEQRCPFBMUPZPE-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methylbenzoic acid
CID 100553005
4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 167828829
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003
N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100532875
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 53279384
N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
CID 107465930
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39457127
N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide (CID 100503345) is N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide is Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is WEQRCPFBMUPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-10-3-4-11(15)9-14(10)17(2)20(18,19)13-7-5-12(16)6-8-13/h3-9H,1-2H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 100503345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).