N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide

C14H14ClNO3S — CID 767791

IUPACN-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C14H14ClNO3S/c1-10-13(15)4-3-5-14(10)16-20(17,18)12-8-6-11(19-2)7-9-12/h3-9,16H,1-2H3
InChIKeyLLPGOOSOPJXAHP-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide

N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 767791) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
PubChem CID767791
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C14H14ClNO3S/c1-10-13(15)4-3-5-14(10)16-20(17,18)12-8-6-11(19-2)7-9-12/h3-9,16H,1-2H3
InChIKeyLLPGOOSOPJXAHP-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide (CID 767791) is N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is LLPGOOSOPJXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-13(15)4-3-5-14(10)16-20(17,18)12-8-6-11(19-2)7-9-12/h3-9,16H,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide?
N-(3-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-(3-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 767791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).