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

C14H14ClNO3S — CID 169369934

IUPACN-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-10-3-6-12(7-4-10)20(17,18)16-11-5-8-13(15)14(9-11)19-2/h3-9,16H,1-2H3
InChIKeyVNUCXMADPOPNFQ-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds4

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

N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 169369934) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID169369934
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-10-3-6-12(7-4-10)20(17,18)16-11-5-8-13(15)14(9-11)19-2/h3-9,16H,1-2H3
InChIKeyVNUCXMADPOPNFQ-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide
CID 165345419
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide (CID 169369934) is N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is VNUCXMADPOPNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-3-6-12(7-4-10)20(17,18)16-11-5-8-13(15)14(9-11)19-2/h3-9,16H,1-2H3.
What are the key properties of N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide?
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169369934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).