N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide

C17H19ClN4O2S2 — CID 11269880

IUPACN-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)c1ncnn1Cc1ccccc1
InChIInChI=1S/C17H19ClN4O2S2/c1-12(2)16(21-26(23,24)15-9-8-14(18)25-15)17-19-11-20-22(17)10-13-6-4-3-5-7-13/h3-9,11-12,16,21H,10H2,1-2H3
InChIKeyXRUFFVGQHMYRJA-UHFFFAOYSA-N
MW410.95 g/mol
LogP3.72
Rot. Bonds7

About N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide

N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 11269880) has the molecular formula C17H19ClN4O2S2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide
PubChem CID11269880
Molecular FormulaC17H19ClN4O2S2
Molecular Weight410.95 g/mol
Exact Mass410.06
IUPAC NameN-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)c1ncnn1Cc1ccccc1
InChIInChI=1S/C17H19ClN4O2S2/c1-12(2)16(21-26(23,24)15-9-8-14(18)25-15)17-19-11-20-22(17)10-13-6-4-3-5-7-13/h3-9,11-12,16,21H,10H2,1-2H3
InChIKeyXRUFFVGQHMYRJA-UHFFFAOYSA-N
XLogP3.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide (CID 11269880) is N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide is CC(C)C(NS(=O)(=O)c1ccc(Cl)s1)c1ncnn1Cc1ccccc1.
What is the InChIKey of N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is XRUFFVGQHMYRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S2/c1-12(2)16(21-26(23,24)15-9-8-14(18)25-15)17-19-11-20-22(17)10-13-6-4-3-5-7-13/h3-9,11-12,16,21H,10H2,1-2H3.
What are the key properties of N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide?
N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 410.95 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 11269880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).