[3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone

C20H21N5O3S — CID 24996983

IUPAC[3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C20H21N5O3S/c1-16-15-23(20(26)17-6-3-2-4-7-17)12-13-25(16)29(27,28)19-9-5-8-18(14-19)24-11-10-21-22-24/h2-11,14,16H,12-13,15H2,1H3
InChIKeyBROIAKTWZKQPAP-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.80
Rot. Bonds4

About [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone

[3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone (PubChem CID 24996983) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
PubChem CID24996983
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name[3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C20H21N5O3S/c1-16-15-23(20(26)17-6-3-2-4-7-17)12-13-25(16)29(27,28)19-9-5-8-18(14-19)24-11-10-21-22-24/h2-11,14,16H,12-13,15H2,1H3
InChIKeyBROIAKTWZKQPAP-UHFFFAOYSA-N
XLogP1.80
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-(3-(1H-1,2,3-triazol-1-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625635
N-benzyl-4-(phenylsulfamoyl)-N-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methyl]benzamide
CID 168279052
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-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]-4-(piperidine-1-sulfonyl)benzamide
CID 5109873
N-(4-acetylphenyl)-N-[(1-phenyltriazol-4-yl)methyl]benzenesulfonamide
CID 134139203
4-sulfamoyl-N-[[1-(4-sulfamoylphenyl)triazol-4-yl]methyl]benzamide
CID 44439120
N-(4-acetylphenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]benzenesulfonamide
CID 134141077
N-(4-acetylphenyl)-N-[[1-(4-acetylphenyl)triazol-4-yl]methyl]benzenesulfonamide
CID 134149239
N-(4-(4-(1H-1,2,3-triazol-1-yl)piperidine-1-carbonyl)phenyl)-3-methylbenzenesulfonamide
CID 76150950
[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 17425719
[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 17442306

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone (CID 24996983) is [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone is CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1cccc(-n2ccnn2)c1.
What is the InChIKey of [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone?
The InChIKey is BROIAKTWZKQPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-16-15-23(20(26)17-6-3-2-4-7-17)12-13-25(16)29(27,28)19-9-5-8-18(14-19)24-11-10-21-22-24/h2-11,14,16H,12-13,15H2,1H3.
What are the key properties of [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone?
[3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone has a molecular weight of 411.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[3-(triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 24996983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).