N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide

C23H20N4O3S — CID 134139203

IUPACN-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccccc3)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-18(28)19-12-14-22(15-13-19)27(31(29,30)23-10-6-3-7-11-23)17-20-16-26(25-24-20)21-8-4-2-5-9-21/h2-16H,17H2,1H3
InChIKeyZZGZELYHGDPQMN-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.87
Rot. Bonds7

About N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide

N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 134139203) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID134139203
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccccc3)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-18(28)19-12-14-22(15-13-19)27(31(29,30)23-10-6-3-7-11-23)17-20-16-26(25-24-20)21-8-4-2-5-9-21/h2-16H,17H2,1H3
InChIKeyZZGZELYHGDPQMN-UHFFFAOYSA-N
XLogP3.87
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide (CID 134139203) is N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(N(Cc2cn(-c3ccccc3)nn2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZZGZELYHGDPQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-18(28)19-12-14-22(15-13-19)27(31(29,30)23-10-6-3-7-11-23)17-20-16-26(25-24-20)21-8-4-2-5-9-21/h2-16H,17H2,1H3.
What are the key properties of N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide?
N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 134139203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).