2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide

C12H8Cl2N4O2S2 — CID 35368048

IUPAC2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2N4O2S2/c13-11-5-10(12(14)21-11)22(19,20)17-8-3-1-2-4-9(8)18-7-15-6-16-18/h1-7,17H
InChIKeyQTJSEKDOZJTTLS-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.44
Rot. Bonds4

About 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide (PubChem CID 35368048) has the molecular formula C12H8Cl2N4O2S2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide
PubChem CID35368048
Molecular FormulaC12H8Cl2N4O2S2
Molecular Weight375.26 g/mol
Exact Mass373.95
IUPAC Name2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2N4O2S2/c13-11-5-10(12(14)21-11)22(19,20)17-8-3-1-2-4-9(8)18-7-15-6-16-18/h1-7,17H
InChIKeyQTJSEKDOZJTTLS-UHFFFAOYSA-N
XLogP3.44
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 35367955
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367858
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
CID 31914119
N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692481
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide
CID 9184424
4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35368037
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655
2,5-dichloro-N-(4-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 114051881
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide (CID 35368048) is 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccccc1-n1cncn1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide?
The InChIKey is QTJSEKDOZJTTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O2S2/c13-11-5-10(12(14)21-11)22(19,20)17-8-3-1-2-4-9(8)18-7-15-6-16-18/h1-7,17H.
What are the key properties of 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide has a molecular weight of 375.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 35368048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).