5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide

C13H11ClN4O3S2 — CID 71771031

IUPAC5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1Cl
InChIInChI=1S/C13H11ClN4O3S2/c1-21-11-3-2-8(6-9(11)14)18-7-10(16-17-18)12-4-5-13(22-12)23(15,19)20/h2-7H,1H3,(H2,15,19,20)
InChIKeyCHPPSRXVHUMCEP-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.31
Rot. Bonds4

About 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide

5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71771031) has the molecular formula C13H11ClN4O3S2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide
PubChem CID71771031
Molecular FormulaC13H11ClN4O3S2
Molecular Weight370.84 g/mol
Exact Mass370.00
IUPAC Name5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1Cl
InChIInChI=1S/C13H11ClN4O3S2/c1-21-11-3-2-8(6-9(11)14)18-7-10(16-17-18)12-4-5-13(22-12)23(15,19)20/h2-7H,1H3,(H2,15,19,20)
InChIKeyCHPPSRXVHUMCEP-UHFFFAOYSA-N
XLogP2.31
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide (CID 71771031) is 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide is COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1Cl.
What is the InChIKey of 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is CHPPSRXVHUMCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3S2/c1-21-11-3-2-8(6-9(11)14)18-7-10(16-17-18)12-4-5-13(22-12)23(15,19)20/h2-7H,1H3,(H2,15,19,20).
What are the key properties of 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide?
5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 370.84 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71771031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).