N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide

C14H14ClNO3S — CID 110777955

IUPACN-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C)c2)c(Cl)c1
InChIInChI=1S/C14H14ClNO3S/c1-10-4-3-5-12(8-10)20(17,18)16-14-7-6-11(19-2)9-13(14)15/h3-9,16H,1-2H3
InChIKeyHCVDXSSKHQHWRF-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide

N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide (PubChem CID 110777955) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
PubChem CID110777955
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C)c2)c(Cl)c1
InChIInChI=1S/C14H14ClNO3S/c1-10-4-3-5-12(8-10)20(17,18)16-14-7-6-11(19-2)9-13(14)15/h3-9,16H,1-2H3
InChIKeyHCVDXSSKHQHWRF-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

N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777958
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide (CID 110777955) is N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide?
The InChIKey is HCVDXSSKHQHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-4-3-5-12(8-10)20(17,18)16-14-7-6-11(19-2)9-13(14)15/h3-9,16H,1-2H3.
What are the key properties of N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide?
N-(2-chloro-4-methoxyphenyl)-3-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-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 110777955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).