4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C19H21N3O4S — CID 110364713

IUPAC4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O4S/c1-15-7-9-17(10-8-15)27(25,26)20-19(24)22-13-11-21(12-14-22)18(23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24)
InChIKeyJASVICADBAAHBA-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.85
Rot. Bonds3

About 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110364713) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110364713
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O4S/c1-15-7-9-17(10-8-15)27(25,26)20-19(24)22-13-11-21(12-14-22)18(23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24)
InChIKeyJASVICADBAAHBA-UHFFFAOYSA-N
XLogP1.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
CID 110328586
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
CID 175378510

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 110364713) is 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is JASVICADBAAHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-15-7-9-17(10-8-15)27(25,26)20-19(24)22-13-11-21(12-14-22)18(23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24).
What are the key properties of 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110364713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).