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

C13H11N5O3S2 — CID 25038247

IUPAC2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H11N5O3S2/c19-12(16-13-14-8-15-17-13)9-4-1-2-5-10(9)18-23(20,21)11-6-3-7-22-11/h1-8,18H,(H2,14,15,16,17,19)
InChIKeyNHIIUEUHXITRSX-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.92
Rot. Bonds5

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

2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 25038247) has the molecular formula C13H11N5O3S2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID25038247
Molecular FormulaC13H11N5O3S2
Molecular Weight349.40 g/mol
Exact Mass349.03
IUPAC Name2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H11N5O3S2/c19-12(16-13-14-8-15-17-13)9-4-1-2-5-10(9)18-23(20,21)11-6-3-7-22-11/h1-8,18H,(H2,14,15,16,17,19)
InChIKeyNHIIUEUHXITRSX-UHFFFAOYSA-N
XLogP1.92
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30863985
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2473604
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2359647
N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 5064484
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698677
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865647
N-[2-[[(3-methyl-1,2-oxazole-5-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 31800733
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 25038247) is 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is NHIIUEUHXITRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3S2/c19-12(16-13-14-8-15-17-13)9-4-1-2-5-10(9)18-23(20,21)11-6-3-7-22-11/h1-8,18H,(H2,14,15,16,17,19).
What are the key properties of 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 349.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 25038247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).