N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

C21H24ClN3O5S — CID 16564174

IUPACN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H24ClN3O5S/c22-17-6-5-16(14-19(17)31(28,29)25-9-1-2-10-25)23-20(26)15-7-11-24(12-8-15)21(27)18-4-3-13-30-18/h3-6,13-15H,1-2,7-12H2,(H,23,26)
InChIKeyCQOARWSELPFUDG-UHFFFAOYSA-N
MW465.96 g/mol
LogP3.21
Rot. Bonds5

About N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 16564174) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID16564174
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H24ClN3O5S/c22-17-6-5-16(14-19(17)31(28,29)25-9-1-2-10-25)23-20(26)15-7-11-24(12-8-15)21(27)18-4-3-13-30-18/h3-6,13-15H,1-2,7-12H2,(H,23,26)
InChIKeyCQOARWSELPFUDG-UHFFFAOYSA-N
XLogP3.21
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55942636
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938393
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 6497485
1-(furan-2-carbonyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-4-carboxamide
CID 40964085
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
2-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974405
(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55944312
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 16564174) is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is CQOARWSELPFUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c22-17-6-5-16(14-19(17)31(28,29)25-9-1-2-10-25)23-20(26)15-7-11-24(12-8-15)21(27)18-4-3-13-30-18/h3-6,13-15H,1-2,7-12H2,(H,23,26).
What are the key properties of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 465.96 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16564174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).