4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide

C12H12N4O2S2 — CID 106003603

IUPAC4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C12H12N4O2S2/c13-6-9-7-14-15-12(9)20(17,18)16-10-1-2-11-8(5-10)3-4-19-11/h1-5,7,16H,6,13H2,(H,14,15)
InChIKeyIQWYWUFHVYVJLS-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.88
Rot. Bonds4

About 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106003603) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106003603
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC Name4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C12H12N4O2S2/c13-6-9-7-14-15-12(9)20(17,18)16-10-1-2-11-8(5-10)3-4-19-11/h1-5,7,16H,6,13H2,(H,14,15)
InChIKeyIQWYWUFHVYVJLS-UHFFFAOYSA-N
XLogP1.88
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-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

4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106064469
3-(aminomethyl)-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106003747
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
CID 106003518
4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106089279
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106086911
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280
4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
CID 65475795
N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 65451533
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300838
4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide
CID 65475216

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide (CID 106003603) is 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide is NCc1cn[nH]c1S(=O)(=O)Nc1ccc2sccc2c1.
What is the InChIKey of 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is IQWYWUFHVYVJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c13-6-9-7-14-15-12(9)20(17,18)16-10-1-2-11-8(5-10)3-4-19-11/h1-5,7,16H,6,13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 308.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106003603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).