4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide

C12H13ClN2O3S2 — CID 106048197

IUPAC4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(CN)cs2)cc1Cl
InChIInChI=1S/C12H13ClN2O3S2/c1-18-11-3-2-9(5-10(11)13)15-20(16,17)12-4-8(6-14)7-19-12/h2-5,7,15H,6,14H2,1H3
InChIKeyMEENZYKHZLJWIW-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.67
Rot. Bonds5

About 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 106048197) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID106048197
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC Name4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(CN)cs2)cc1Cl
InChIInChI=1S/C12H13ClN2O3S2/c1-18-11-3-2-9(5-10(11)13)15-20(16,17)12-4-8(6-14)7-19-12/h2-5,7,15H,6,14H2,1H3
InChIKeyMEENZYKHZLJWIW-UHFFFAOYSA-N
XLogP2.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)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-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
CID 106048091
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 106073992
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide (CID 106048197) is 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(CN)cs2)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is MEENZYKHZLJWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-18-11-3-2-9(5-10(11)13)15-20(16,17)12-4-8(6-14)7-19-12/h2-5,7,15H,6,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 332.83 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106048197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).