5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide

C13H14ClNO3S2 — CID 110780906

IUPAC5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C13H14ClNO3S2/c1-2-18-11-5-3-10(4-6-11)9-15-20(16,17)13-8-7-12(14)19-13/h3-8,15H,2,9H2,1H3
InChIKeyYEUWQKBGGXGFKU-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.28
Rot. Bonds6

About 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 110780906) has the molecular formula C13H14ClNO3S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID110780906
Molecular FormulaC13H14ClNO3S2
Molecular Weight331.85 g/mol
Exact Mass331.01
IUPAC Name5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C13H14ClNO3S2/c1-2-18-11-5-3-10(4-6-11)9-15-20(16,17)13-8-7-12(14)19-13/h3-8,15H,2,9H2,1H3
InChIKeyYEUWQKBGGXGFKU-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide 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

5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide
CID 8523166
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947504
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81098757
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 55913944
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide (CID 110780906) is 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide is CCOc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is YEUWQKBGGXGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S2/c1-2-18-11-5-3-10(4-6-11)9-15-20(16,17)13-8-7-12(14)19-13/h3-8,15H,2,9H2,1H3.
What are the key properties of 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110780906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).