1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide

C24H30ClN3O3S — CID 45489069

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O3S/c25-20-11-13-21(14-12-20)32(30,31)28-17-5-4-10-23(28)24(29)26-22(18-27-15-6-7-16-27)19-8-2-1-3-9-19/h1-3,8-9,11-14,22-23H,4-7,10,15-18H2,(H,26,29)
InChIKeyDCWFFAOCHUXWAD-UHFFFAOYSA-N
MW476.04 g/mol
LogP3.84
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide (PubChem CID 45489069) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
PubChem CID45489069
Molecular FormulaC24H30ClN3O3S
Molecular Weight476.04 g/mol
Exact Mass475.17
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
SMILESO=C(NC(CN1CCCC1)c1ccccc1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O3S/c25-20-11-13-21(14-12-20)32(30,31)28-17-5-4-10-23(28)24(29)26-22(18-27-15-6-7-16-27)19-8-2-1-3-9-19/h1-3,8-9,11-14,22-23H,4-7,10,15-18H2,(H,26,29)
InChIKeyDCWFFAOCHUXWAD-UHFFFAOYSA-N
XLogP3.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.04
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 5204024
[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[4-(2,5-dichlorophenyl)phenyl]sulfonylpiperidin-2-yl]methanone
CID 44570764
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-cyclopropylpropanamide
CID 71449733
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71453379
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 71455080
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
CID 71456880
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide
CID 71456882
(2R)-2-[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71456883
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,5-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71456884
(2R)-2-[benzyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71458731
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]hexanamide
CID 71458732
(2R)-2-[[4-(chloromethyl)phenyl]methyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71462263

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide (CID 45489069) is 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide is O=C(NC(CN1CCCC1)c1ccccc1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The InChIKey is DCWFFAOCHUXWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3S/c25-20-11-13-21(14-12-20)32(30,31)28-17-5-4-10-23(28)24(29)26-22(18-27-15-6-7-16-27)19-8-2-1-3-9-19/h1-3,8-9,11-14,22-23H,4-7,10,15-18H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide has a molecular weight of 476.04 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 45489069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).