5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide

C12H9ClN4O2S2 — CID 35367955

IUPAC5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1ccc(Cl)s1
InChIInChI=1S/C12H9ClN4O2S2/c13-11-5-6-12(20-11)21(18,19)16-9-3-1-2-4-10(9)17-8-14-7-15-17/h1-8,16H
InChIKeyLLTHVTNVCUOMNY-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.78
Rot. Bonds4

About 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 35367955) has the molecular formula C12H9ClN4O2S2 and a molecular weight of 340.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID35367955
Molecular FormulaC12H9ClN4O2S2
Molecular Weight340.82 g/mol
Exact Mass339.99
IUPAC Name5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1ccc(Cl)s1
InChIInChI=1S/C12H9ClN4O2S2/c13-11-5-6-12(20-11)21(18,19)16-9-3-1-2-4-10(9)17-8-14-7-15-17/h1-8,16H
InChIKeyLLTHVTNVCUOMNY-UHFFFAOYSA-N
XLogP2.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]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

2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide
CID 35368048
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692481
3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367858
4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35368037
2-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole-5-sulfonamide
CID 61216389
5-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
CID 53190702
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 8025055
N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
CID 61253900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide (CID 35367955) is 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1-n1cncn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is LLTHVTNVCUOMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S2/c13-11-5-6-12(20-11)21(18,19)16-9-3-1-2-4-10(9)17-8-14-7-15-17/h1-8,16H.
What are the key properties of 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 340.82 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 35367955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).