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

C15H16ClNO3S — CID 169370534

IUPACN-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H16ClNO3S/c1-3-20-15-13(16)5-4-6-14(15)17-21(18,19)12-9-7-11(2)8-10-12/h4-10,17H,3H2,1-2H3
InChIKeyJJZOYXCGRVEHJV-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.85
Rot. Bonds5

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

N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 169370534) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID169370534
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H16ClNO3S/c1-3-20-15-13(16)5-4-6-14(15)17-21(18,19)12-9-7-11(2)8-10-12/h4-10,17H,3H2,1-2H3
InChIKeyJJZOYXCGRVEHJV-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-chloro-2-ethoxyphenyl)sulfamoyl]benzamide
CID 60578962
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370626
N-(3-chloro-2-ethoxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 60579062
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 6456762
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide
CID 121419270

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide (CID 169370534) is N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide is CCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is JJZOYXCGRVEHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-3-20-15-13(16)5-4-6-14(15)17-21(18,19)12-9-7-11(2)8-10-12/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide?
N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).