(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide

C24H30ClN3O3S — CID 125059122

IUPAC(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide
SMILESC[C@H]1Cc2ccccc2N1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H30ClN3O3S/c1-18-16-19-6-2-3-8-23(19)28(18)15-5-13-26-24(29)20-7-4-14-27(17-20)32(30,31)22-11-9-21(25)10-12-22/h2-3,6,8-12,18,20H,4-5,7,13-17H2,1H3,(H,26,29)/t18-,20-/m0/s1
InChIKeyTTZPLTHKDGDDNM-ICSRJNTNSA-N
MW476.04 g/mol
LogP3.70
Rot. Bonds7

About (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide

(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide (PubChem CID 125059122) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide
PubChem CID125059122
Molecular FormulaC24H30ClN3O3S
Molecular Weight476.04 g/mol
Exact Mass475.17
IUPAC Name(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide
SMILESC[C@H]1Cc2ccccc2N1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H30ClN3O3S/c1-18-16-19-6-2-3-8-23(19)28(18)15-5-13-26-24(29)20-7-4-14-27(17-20)32(30,31)22-11-9-21(25)10-12-22/h2-3,6,8-12,18,20H,4-5,7,13-17H2,1H3,(H,26,29)/t18-,20-/m0/s1
InChIKeyTTZPLTHKDGDDNM-ICSRJNTNSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 133189530
1-(benzenesulfonyl)-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-4-carboxamide
CID 100646631
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60599694
(3R)-N-[3-(2-chlorophenyl)propyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100675499
ethyl N-[2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558612
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168284
(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 100675858
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 55634055
(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 42535536
1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 42936696
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide (CID 125059122) is (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide is C[C@H]1Cc2ccccc2N1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide?
The InChIKey is TTZPLTHKDGDDNM-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H30ClN3O3S/c1-18-16-19-6-2-3-8-23(19)28(18)15-5-13-26-24(29)20-7-4-14-27(17-20)32(30,31)22-11-9-21(25)10-12-22/h2-3,6,8-12,18,20H,4-5,7,13-17H2,1H3,(H,26,29)/t18-,20-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide has a molecular weight of 476.04 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 125059122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).