N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide

C16H23ClN4O3S — CID 2998136

IUPACN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN4O3S/c1-19-9-11-20(12-10-19)16(22)18-15-3-2-8-21(15)25(23,24)14-6-4-13(17)5-7-14/h4-7,15H,2-3,8-12H2,1H3,(H,18,22)
InChIKeyNCFVGHOFJUWJJW-UHFFFAOYSA-N
MW386.91 g/mol
LogP1.41
Rot. Bonds3

About N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide

N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 2998136) has the molecular formula C16H23ClN4O3S and a molecular weight of 386.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide
PubChem CID2998136
Molecular FormulaC16H23ClN4O3S
Molecular Weight386.91 g/mol
Exact Mass386.12
IUPAC NameN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN4O3S/c1-19-9-11-20(12-10-19)16(22)18-15-3-2-8-21(15)25(23,24)14-6-4-13(17)5-7-14/h4-7,15H,2-3,8-12H2,1H3,(H,18,22)
InChIKeyNCFVGHOFJUWJJW-UHFFFAOYSA-N
XLogP1.41
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Chlorpropamide
CID 2727
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 2088239
1-[2-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
CID 9117425
3-chloro-4-fluoro-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810871
1-Chloro-4-((methyl((propylamino)carbonyl)amino)sulfonyl)benzene
CID 362591
3-[2-[4-(4-Chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2997547
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 16291440
1-Chloro-4-((neopentyl((propylamino)carbonyl)amino)sulfonyl)benzene
CID 362598
4-[(4-Chlorophenyl)sulfonyl]piperazinyl piperidyl ketone
CID 1091482
1-(4-Chlorophenylsulfonyl)-2-imidazolidinone
CID 1263202
N(1)-Ethylchlorpropamide
CID 362592

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide (CID 2998136) is N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is NCFVGHOFJUWJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O3S/c1-19-9-11-20(12-10-19)16(22)18-15-3-2-8-21(15)25(23,24)14-6-4-13(17)5-7-14/h4-7,15H,2-3,8-12H2,1H3,(H,18,22).
What are the key properties of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide?
N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 2998136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).