4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide

C15H20N4O3S — CID 110811219

IUPAC4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C15H20N4O3S/c1-2-7-17-15(20)18-8-10-19(11-9-18)23(21,22)14-6-4-3-5-13(14)12-16/h3-6H,2,7-11H2,1H3,(H,17,20)
InChIKeyNXJGIEIKPILDFA-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.98
Rot. Bonds4

About 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide

4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide (PubChem CID 110811219) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide
PubChem CID110811219
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C15H20N4O3S/c1-2-7-17-15(20)18-8-10-19(11-9-18)23(21,22)14-6-4-3-5-13(14)12-16/h3-6H,2,7-11H2,1H3,(H,17,20)
InChIKeyNXJGIEIKPILDFA-UHFFFAOYSA-N
XLogP0.98
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanophenyl)sulfonyl-N-(5,5-dimethylhexyl)piperazine-1-carboxamide
CID 86890686
N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide
CID 110811220
N-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioamide
CID 8789075
4-(2-chlorophenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110812061
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
2-[(4-propanoyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 110796557
ethyl 4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate
CID 9089473
4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 6465159
2-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822233
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34665578
2-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110805398
2-[4-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 30879579

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide (CID 110811219) is 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The InChIKey is NXJGIEIKPILDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-2-7-17-15(20)18-8-10-19(11-9-18)23(21,22)14-6-4-3-5-13(14)12-16/h3-6H,2,7-11H2,1H3,(H,17,20).
What are the key properties of 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110811219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).