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

C25H22N4O4S — CID 134149239

IUPACN-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccc(C(C)=O)cc3)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H22N4O4S/c1-18(30)20-8-12-23(13-9-20)28-16-22(26-27-28)17-29(24-14-10-21(11-15-24)19(2)31)34(32,33)25-6-4-3-5-7-25/h3-16H,17H2,1-2H3
InChIKeyHPXRRKARJILVPH-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.07
Rot. Bonds8

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

N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide (PubChem CID 134149239) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide
PubChem CID134149239
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC NameN-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(N(Cc2cn(-c3ccc(C(C)=O)cc3)nn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H22N4O4S/c1-18(30)20-8-12-23(13-9-20)28-16-22(26-27-28)17-29(24-14-10-21(11-15-24)19(2)31)34(32,33)25-6-4-3-5-7-25/h3-16H,17H2,1-2H3
InChIKeyHPXRRKARJILVPH-UHFFFAOYSA-N
XLogP4.07
TPSA102.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4172772
1-phenyl-3-(1-p-tolyl-1H-tetrazol-5-yl)propan-1-one
CID 46890279
4-(4-Benzoyltriazol-1-yl)benzenesulfonamide
CID 145952834
4-[4-(4-Methylbenzoyl)triazol-1-yl]benzenesulfonamide
CID 145953466
4-[4-(Naphthalene-2-carbonyl)triazol-1-yl]benzenesulfonamide
CID 145955576
4-[4-(4-Fluorobenzoyl)triazol-1-yl]benzenesulfonamide
CID 145958447
N-benzyl-N-[(1-benzyltriazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 168280187
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 168292807
N-(4-acetylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022072
N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]-4-(piperidine-1-sulfonyl)benzamide
CID 5109873
(E)-1-phenyl-3-[4-(5-phenyltriazol-1-yl)phenyl]prop-2-en-1-one
CID 5999557
(E)-3-[4-(diethylamino)phenyl]-1-[3-(4-phenyltriazol-1-yl)phenyl]prop-2-en-1-one
CID 118707702

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide (CID 134149239) is N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide is CC(=O)c1ccc(N(Cc2cn(-c3ccc(C(C)=O)cc3)nn2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is HPXRRKARJILVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-18(30)20-8-12-23(13-9-20)28-16-22(26-27-28)17-29(24-14-10-21(11-15-24)19(2)31)34(32,33)25-6-4-3-5-7-25/h3-16H,17H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide?
N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 474.54 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134149239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).