N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide

C17H17ClN4O2S — CID 17375753

IUPACN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ncn(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C17H17ClN4O2S/c1-2-13-7-9-15(10-8-13)25(23,24)21-17-19-12-22(20-17)11-14-5-3-4-6-16(14)18/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyUYTSFUDEOUVULT-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.34
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide (PubChem CID 17375753) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide
PubChem CID17375753
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ncn(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C17H17ClN4O2S/c1-2-13-7-9-15(10-8-13)25(23,24)21-17-19-12-22(20-17)11-14-5-3-4-6-16(14)18/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyUYTSFUDEOUVULT-UHFFFAOYSA-N
XLogP3.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide (CID 17375753) is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ncn(Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide?
The InChIKey is UYTSFUDEOUVULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-2-13-7-9-15(10-8-13)25(23,24)21-17-19-12-22(20-17)11-14-5-3-4-6-16(14)18/h3-10,12H,2,11H2,1H3,(H,20,21).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 17375753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).