4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide

C14H13N5O3S2 — CID 47082947

IUPAC4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H13N5O3S2/c20-13(18-14-15-9-16-19-14)10-3-5-12(6-4-10)24(21,22)17-8-11-2-1-7-23-11/h1-7,9,17H,8H2,(H2,15,16,18,19,20)
InChIKeyIPHCXWWBYZAAPY-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.60
Rot. Bonds6

About 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide

4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 47082947) has the molecular formula C14H13N5O3S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID47082947
Molecular FormulaC14H13N5O3S2
Molecular Weight363.42 g/mol
Exact Mass363.05
IUPAC Name4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H13N5O3S2/c20-13(18-14-15-9-16-19-14)10-3-5-12(6-4-10)24(21,22)17-8-11-2-1-7-23-11/h1-7,9,17H,8H2,(H2,15,16,18,19,20)
InChIKeyIPHCXWWBYZAAPY-UHFFFAOYSA-N
XLogP1.60
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide 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

N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119505533
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 167959278
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866887
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56547069
N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31909402
N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428510
N-[(1R,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428507
4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide
CID 54883543
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 47082947) is 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is IPHCXWWBYZAAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S2/c20-13(18-14-15-9-16-19-14)10-3-5-12(6-4-10)24(21,22)17-8-11-2-1-7-23-11/h1-7,9,17H,8H2,(H2,15,16,18,19,20).
What are the key properties of 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethylsulfamoyl)-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 47082947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).