2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C19H20N4O3S — CID 131951150

IUPAC2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1S(=O)(=O)Cc1ccccc1)c1nncn1C
InChIInChI=1S/C19H20N4O3S/c1-14(18-22-20-13-23(18)2)21-19(24)16-10-6-7-11-17(16)27(25,26)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,21,24)
InChIKeyNKCZUVIGWWMRDQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.28
Rot. Bonds6

About 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 131951150) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID131951150
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1S(=O)(=O)Cc1ccccc1)c1nncn1C
InChIInChI=1S/C19H20N4O3S/c1-14(18-22-20-13-23(18)2)21-19(24)16-10-6-7-11-17(16)27(25,26)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,21,24)
InChIKeyNKCZUVIGWWMRDQ-UHFFFAOYSA-N
XLogP2.28
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 131951150) is 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1S(=O)(=O)Cc1ccccc1)c1nncn1C.
What is the InChIKey of 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is NKCZUVIGWWMRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14(18-22-20-13-23(18)2)21-19(24)16-10-6-7-11-17(16)27(25,26)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 131951150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).