N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide

C14H14ClNO2S — CID 54422593

IUPACN-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-10-3-5-14(6-4-10)19(17,18)16-13-8-11(2)7-12(15)9-13/h3-9,16H,1-2H3
InChIKeyWBVXGXYZLONNCF-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.76
Rot. Bonds3

About N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide

N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 54422593) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID54422593
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-10-3-5-14(6-4-10)19(17,18)16-13-8-11(2)7-12(15)9-13/h3-9,16H,1-2H3
InChIKeyWBVXGXYZLONNCF-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide
CID 107575174
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
1-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(2,5-dimethylphenyl)thiourea
CID 19679998
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
1-(3-chlorophenyl)-3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]urea
CID 1226691
1-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)thiourea
CID 19679968
N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide
CID 169369916

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide (CID 54422593) is N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is WBVXGXYZLONNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-10-3-5-14(6-4-10)19(17,18)16-13-8-11(2)7-12(15)9-13/h3-9,16H,1-2H3.
What are the key properties of N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide?
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 54422593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).