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

C19H20N4O3S — CID 68758709

IUPAC(3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H20N4O3S/c1-15-14-22(19(24)21-17-7-3-2-4-8-17)10-11-23(15)27(25,26)18-9-5-6-16(12-18)13-20/h2-9,12,15H,10-11,14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyKZQMXWKQFSJOAM-HNNXBMFYSA-N
MW384.46 g/mol
LogP2.49
Rot. Bonds3

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

(3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide (PubChem CID 68758709) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
PubChem CID68758709
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name(3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H20N4O3S/c1-15-14-22(19(24)21-17-7-3-2-4-8-17)10-11-23(15)27(25,26)18-9-5-6-16(12-18)13-20/h2-9,12,15H,10-11,14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyKZQMXWKQFSJOAM-HNNXBMFYSA-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

4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
CID 75251376
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
3-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzonitrile
CID 95768190
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085066
3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 35406577
3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 24730458
N-(3-cyanophenyl)-5-hydroxy-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 123772009
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480
3-(3-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 61227022

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide (CID 68758709) is (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide is C[C@H]1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is KZQMXWKQFSJOAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-15-14-22(19(24)21-17-7-3-2-4-8-17)10-11-23(15)27(25,26)18-9-5-6-16(12-18)13-20/h2-9,12,15H,10-11,14H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide?
(3S)-4-(3-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 (3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 68758709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).