4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide

C19H20N4O3S — CID 75251376

IUPAC4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H20N4O3S/c1-15-14-22(19(24)21-17-5-3-2-4-6-17)11-12-23(15)27(25,26)18-9-7-16(13-20)8-10-18/h2-10,15H,11-12,14H2,1H3,(H,21,24)
InChIKeyQLHRUPKHSOEQEG-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.49
Rot. Bonds3

About 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide

4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide (PubChem CID 75251376) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
PubChem CID75251376
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H20N4O3S/c1-15-14-22(19(24)21-17-5-3-2-4-6-17)11-12-23(15)27(25,26)18-9-7-16(13-20)8-10-18/h2-10,15H,11-12,14H2,1H3,(H,21,24)
InChIKeyQLHRUPKHSOEQEG-UHFFFAOYSA-N
XLogP2.49
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
CID 68758709
4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085066
4-(4-cyanophenyl)sulfonyl-N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085078
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
CID 59007124
[(3S)-4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 46910840
[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 75251241
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
N-(4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18266563
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 7161590

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide (CID 75251376) is 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is QLHRUPKHSOEQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-15-14-22(19(24)21-17-5-3-2-4-6-17)11-12-23(15)27(25,26)18-9-7-16(13-20)8-10-18/h2-10,15H,11-12,14H2,1H3,(H,21,24).
What are the key properties of 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide?
4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 75251376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).