3-chloro-4-ethoxy-N-phenylbenzenesulfonamide

C14H14ClNO3S — CID 110758153

IUPAC3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-2-19-14-9-8-12(10-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h3-10,16H,2H2,1H3
InChIKeySHAIBSNHHKGLFA-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.54
Rot. Bonds5

About 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide

3-chloro-4-ethoxy-N-phenylbenzenesulfonamide (PubChem CID 110758153) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
PubChem CID110758153
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-2-19-14-9-8-12(10-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h3-10,16H,2H2,1H3
InChIKeySHAIBSNHHKGLFA-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide 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

3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide
CID 2825046
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
N-(1,3-benzodioxol-5-yl)-3-chloro-4-ethoxybenzenesulfonamide
CID 6491906
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
CID 61125908
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide (CID 110758153) is 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide?
The InChIKey is SHAIBSNHHKGLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-2-19-14-9-8-12(10-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h3-10,16H,2H2,1H3.
What are the key properties of 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide?
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 110758153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).