N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide

C23H25ClN4O3S — CID 134008646

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N3CCCC3)CC2)cc1
InChIInChI=1S/C23H25ClN4O3S/c24-19-5-8-22(27-11-1-2-12-27)21(15-19)26-23(29)18-9-13-28(14-10-18)32(30,31)20-6-3-17(16-25)4-7-20/h3-8,15,18H,1-2,9-14H2,(H,26,29)
InChIKeyMWJPBBZAWHHXIO-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.85
Rot. Bonds5

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 134008646) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID134008646
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N3CCCC3)CC2)cc1
InChIInChI=1S/C23H25ClN4O3S/c24-19-5-8-22(27-11-1-2-12-27)21(15-19)26-23(29)18-9-13-28(14-10-18)32(30,31)20-6-3-17(16-25)4-7-20/h3-8,15,18H,1-2,9-14H2,(H,26,29)
InChIKeyMWJPBBZAWHHXIO-UHFFFAOYSA-N
XLogP3.85
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 24614142
1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 30862286
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 9074610
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606
N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 38705262
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
1-(4-acetylphenyl)sulfonyl-N-(2,5-dichlorophenyl)piperidine-4-carboxamide
CID 26577801
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075516
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 30778995
(2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
CID 55412305
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide (CID 134008646) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide is N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N3CCCC3)CC2)cc1.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MWJPBBZAWHHXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c24-19-5-8-22(27-11-1-2-12-27)21(15-19)26-23(29)18-9-13-28(14-10-18)32(30,31)20-6-3-17(16-25)4-7-20/h3-8,15,18H,1-2,9-14H2,(H,26,29).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 473.00 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 134008646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).