N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide

C14H14ClNO3S — CID 4995778

IUPACN-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C14H14ClNO3S/c1-10-9-11(15)3-8-14(10)16-20(17,18)13-6-4-12(19-2)5-7-13/h3-9,16H,1-2H3
InChIKeyREQJLKKHEGUCQV-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide

N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 4995778) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
PubChem CID4995778
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C14H14ClNO3S/c1-10-9-11(15)3-8-14(10)16-20(17,18)13-6-4-12(19-2)5-7-13/h3-9,16H,1-2H3
InChIKeyREQJLKKHEGUCQV-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-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
1-N-(4-chloro-2-methylphenyl)-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 2681540
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide
CID 99842338
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide (CID 4995778) is N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is REQJLKKHEGUCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-9-11(15)3-8-14(10)16-20(17,18)13-6-4-12(19-2)5-7-13/h3-9,16H,1-2H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide?
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide 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-2-methylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4995778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).