4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide

C18H21ClN4O3S — CID 41287111

IUPAC4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1cccnc1
InChIInChI=1S/C18H21ClN4O3S/c1-14(15-4-3-7-20-13-15)21-18(24)22-8-10-23(11-9-22)27(25,26)17-6-2-5-16(19)12-17/h2-7,12-14H,8-11H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyIHUDKYDAQTWSKY-CQSZACIVSA-N
MW408.91 g/mol
LogP2.51
Rot. Bonds4

About 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide

4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide (PubChem CID 41287111) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
PubChem CID41287111
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC Name4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1cccnc1
InChIInChI=1S/C18H21ClN4O3S/c1-14(15-4-3-7-20-13-15)21-18(24)22-8-10-23(11-9-22)27(25,26)17-6-2-5-16(19)12-17/h2-7,12-14H,8-11H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyIHUDKYDAQTWSKY-CQSZACIVSA-N
XLogP2.51
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
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3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
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4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
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N-benzhydryl-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
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N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
4-(3-chlorophenyl)sulfonyl-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110811211
(2S)-2-(3-chlorophenoxy)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 25439683
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493597
N-[1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55341503
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide (CID 41287111) is 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1cccnc1.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The InChIKey is IHUDKYDAQTWSKY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-14(15-4-3-7-20-13-15)21-18(24)22-8-10-23(11-9-22)27(25,26)17-6-2-5-16(19)12-17/h2-7,12-14H,8-11H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 41287111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).