N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide

C15H16ClNO3S — CID 99629001

IUPACN-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C15H16ClNO3S/c1-11-4-7-13(8-5-11)21(18,19)17(2)12-6-9-15(20-3)14(16)10-12/h4-10H,1-3H3
InChIKeyFNMWSPDFBKDDRM-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.48
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide

N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 99629001) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID99629001
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C15H16ClNO3S/c1-11-4-7-13(8-5-11)21(18,19)17(2)12-6-9-15(20-3)14(16)10-12/h4-10H,1-3H3
InChIKeyFNMWSPDFBKDDRM-UHFFFAOYSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 99628913
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954
4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide
CID 71945594
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30307440
N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanyl-N-(4-methylphenyl)sulfonylacetamide
CID 19220373
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 999403
N-(3,4-dimethoxyphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189865
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide (CID 99629001) is N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is FNMWSPDFBKDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-4-7-13(8-5-11)21(18,19)17(2)12-6-9-15(20-3)14(16)10-12/h4-10H,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide?
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 99629001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).