4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide

C11H13ClN4O2S — CID 6499841

IUPAC4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C11H13ClN4O2S/c1-9(16-8-13-7-14-16)6-15-19(17,18)11-4-2-10(12)3-5-11/h2-5,7-9,15H,6H2,1H3
InChIKeyHUIROOJFNCGDCH-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.47
Rot. Bonds5

About 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide

4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide (PubChem CID 6499841) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide
PubChem CID6499841
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C11H13ClN4O2S/c1-9(16-8-13-7-14-16)6-15-19(17,18)11-4-2-10(12)3-5-11/h2-5,7-9,15H,6H2,1H3
InChIKeyHUIROOJFNCGDCH-UHFFFAOYSA-N
XLogP1.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide (CID 6499841) is 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(Cl)cc1)n1cncn1.
What is the InChIKey of 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is HUIROOJFNCGDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-9(16-8-13-7-14-16)6-15-19(17,18)11-4-2-10(12)3-5-11/h2-5,7-9,15H,6H2,1H3.
What are the key properties of 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide?
4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 6499841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).