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

C12H13ClN2O3S2 — CID 146421787

IUPAC4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(N)c(Cl)s2)cc1
InChIInChI=1S/C12H13ClN2O3S2/c1-18-9-4-2-8(3-5-9)7-15-20(16,17)11-6-10(14)12(13)19-11/h2-6,15H,7,14H2,1H3
InChIKeyPOQCNWVGDVIOKR-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.47
Rot. Bonds5

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

4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 146421787) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID146421787
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC Name4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(N)c(Cl)s2)cc1
InChIInChI=1S/C12H13ClN2O3S2/c1-18-9-4-2-8(3-5-9)7-15-20(16,17)11-6-10(14)12(13)19-11/h2-6,15H,7,14H2,1H3
InChIKeyPOQCNWVGDVIOKR-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-chloro-N-[(4-methoxyphenyl)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-methoxyphenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 146421957
5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 119046080
4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110678457
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 82222818
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156283

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 146421787) is 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cc(N)c(Cl)s2)cc1.
What is the InChIKey of 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is POQCNWVGDVIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-18-9-4-2-8(3-5-9)7-15-20(16,17)11-6-10(14)12(13)19-11/h2-6,15H,7,14H2,1H3.
What are the key properties of 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 332.83 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 146421787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).