(E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

C24H29ClN4O3S — CID 11294750

IUPAC(E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCC(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H29ClN4O3S/c25-22-3-1-19(2-4-22)10-16-33(31,32)27-17-20-7-13-29(18-20)24(30)21-8-14-28(15-9-21)23-5-11-26-12-6-23/h1-6,10-12,16,20-21,27H,7-9,13-15,17-18H2/b16-10+
InChIKeyXHXZUIDOGUXHJF-MHWRWJLKSA-N
MW489.04 g/mol
LogP3.39
Rot. Bonds7

About (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 11294750) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID11294750
Molecular FormulaC24H29ClN4O3S
Molecular Weight489.04 g/mol
Exact Mass488.16
IUPAC Name(E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCC(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H29ClN4O3S/c25-22-3-1-19(2-4-22)10-16-33(31,32)27-17-20-7-13-29(18-20)24(30)21-8-14-28(15-9-21)23-5-11-26-12-6-23/h1-6,10-12,16,20-21,27H,7-9,13-15,17-18H2/b16-10+
InChIKeyXHXZUIDOGUXHJF-MHWRWJLKSA-N
XLogP3.39
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide with MolForge

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Related Compounds

8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
4-[2-(4-Chloro-phenyl)-ethenesulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
CID 11112824
(R,E)-2-(5-chlorothiophen-2-yl)-N-((1-(1-(pyridin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)ethenesulfonamide
CID 11352421
6-chloro-N-((1-(1-(pyridin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)naphthalene-2-sulfonamide
CID 11375712
1-(5-Chloro-3,4'-bipyridin-4-yl)piperidine-4-carboxamide
CID 45275779
4-(((1E)-2-(4-Chlorophenyl)ethenyl)sulfonyl)-1-((1-(4-pyridinyl)-4-piperidinyl)methyl)piperazinone
CID 446345
1-(((1E)-2-(4-Chlorophenyl)ethenyl)sulfonyl)-4-((1-(4-pyridinyl)-4-piperidinyl)methyl)piperazine
CID 446346
1-(benzylsulfonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1444961
1-((4-chlorophenyl)sulfonyl)-N-(pyridin-4-yl)piperidine-4-carboxamide
CID 6471889
N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851621
1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
CID 24792128
1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24982700

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (CID 11294750) is (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is O=C(C1CCN(c2ccncc2)CC1)N1CCC(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is XHXZUIDOGUXHJF-MHWRWJLKSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c25-22-3-1-19(2-4-22)10-16-33(31,32)27-17-20-7-13-29(18-20)24(30)21-8-14-28(15-9-21)23-5-11-26-12-6-23/h1-6,10-12,16,20-21,27H,7-9,13-15,17-18H2/b16-10+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 489.04 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 11294750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).