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

C14H13Cl2NO2S — CID 16644802

IUPAC4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c1-9-3-4-11(8-14(9)16)17-20(18,19)12-5-6-13(15)10(2)7-12/h3-8,17H,1-2H3
InChIKeyMCJZRANEZQOKBE-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.41
Rot. Bonds3

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

4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide (PubChem CID 16644802) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
PubChem CID16644802
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c1-9-3-4-11(8-14(9)16)17-20(18,19)12-5-6-13(15)10(2)7-12/h3-8,17H,1-2H3
InChIKeyMCJZRANEZQOKBE-UHFFFAOYSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
6-amino-N-(3-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 62164219
4-[(3-chloro-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 30057456
N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 8538684

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide (CID 16644802) is 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is MCJZRANEZQOKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-9-3-4-11(8-14(9)16)17-20(18,19)12-5-6-13(15)10(2)7-12/h3-8,17H,1-2H3.
What are the key properties of 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide?
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 16644802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).