N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide

C16H16N4O2S — CID 555822

IUPACN-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1nncn1-c1ccccc1
InChIInChI=1S/C16H16N4O2S/c1-13(19-23(21,22)15-10-6-3-7-11-15)16-18-17-12-20(16)14-8-4-2-5-9-14/h2-13,19H,1H3
InChIKeyKVSFRCCKIHFJQT-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.31
Rot. Bonds5

About N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide

N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 555822) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
PubChem CID555822
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1nncn1-c1ccccc1
InChIInChI=1S/C16H16N4O2S/c1-13(19-23(21,22)15-10-6-3-7-11-15)16-18-17-12-20(16)14-8-4-2-5-9-14/h2-13,19H,1H3
InChIKeyKVSFRCCKIHFJQT-UHFFFAOYSA-N
XLogP2.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide (CID 555822) is N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)c1nncn1-c1ccccc1.
What is the InChIKey of N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is KVSFRCCKIHFJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-13(19-23(21,22)15-10-6-3-7-11-15)16-18-17-12-20(16)14-8-4-2-5-9-14/h2-13,19H,1H3.
What are the key properties of N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide?
N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 555822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).