4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide

C19H23N3O3S — CID 6466224

IUPAC4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-16(2)18(14-15)26(24,25)22-12-10-21(11-13-22)19(23)20-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyZMEYISUUTDXDMZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.84
Rot. Bonds3

About 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide

4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide (PubChem CID 6466224) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
PubChem CID6466224
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-16(2)18(14-15)26(24,25)22-12-10-21(11-13-22)19(23)20-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyZMEYISUUTDXDMZ-UHFFFAOYSA-N
XLogP2.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide 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

(2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide
CID 8512316
4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 6465159
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
4-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696343
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
CID 26020417
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 24634807
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
4-[(4-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637841
ethyl N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]carbamate
CID 26283493
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide (CID 6466224) is 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is ZMEYISUUTDXDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-8-9-16(2)18(14-15)26(24,25)22-12-10-21(11-13-22)19(23)20-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide?
4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 6466224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).