N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide

C16H21Cl2N3O3S — CID 27534567

IUPACN-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H21Cl2N3O3S/c17-14-6-5-13(11-15(14)18)25(23,24)21-9-7-20(8-10-21)16(22)19-12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H,19,22)
InChIKeyZYTYHBFPYAWLQY-UHFFFAOYSA-N
MW406.34 g/mol
LogP2.95
Rot. Bonds3

About N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide

N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 27534567) has the molecular formula C16H21Cl2N3O3S and a molecular weight of 406.34 g/mol. Its IUPAC name is N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID27534567
Molecular FormulaC16H21Cl2N3O3S
Molecular Weight406.34 g/mol
Exact Mass405.07
IUPAC NameN-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H21Cl2N3O3S/c17-14-6-5-13(11-15(14)18)25(23,24)21-9-7-20(8-10-21)16(22)19-12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H,19,22)
InChIKeyZYTYHBFPYAWLQY-UHFFFAOYSA-N
XLogP2.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
N-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 55543692
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
CID 1477706
methyl 3-[4-(cyclohexylcarbamoyl)piperazin-1-yl]sulfonylbenzoate
CID 35398766
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
4-(3,4-dichlorophenyl)sulfonyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 55802278
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
2-bicyclo[2.2.1]heptanyl-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 22109780
4-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperazine-1-carbothioamide
CID 8745764

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide (CID 27534567) is N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is ZYTYHBFPYAWLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3S/c17-14-6-5-13(11-15(14)18)25(23,24)21-9-7-20(8-10-21)16(22)19-12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H,19,22).
What are the key properties of N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide?
N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 27534567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).