1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide

C21H22ClN3O4S — CID 2474738

IUPAC1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C21H22ClN3O4S/c22-17-6-5-16(21(27)24-10-7-15(8-11-24)20(23)26)13-19(17)30(28,29)25-12-9-14-3-1-2-4-18(14)25/h1-6,13,15H,7-12H2,(H2,23,26)
InChIKeySVOJTJNDLXEOBP-UHFFFAOYSA-N
MW447.94 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide

1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide (PubChem CID 2474738) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide
PubChem CID2474738
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC Name1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C21H22ClN3O4S/c22-17-6-5-16(21(27)24-10-7-15(8-11-24)20(23)26)13-19(17)30(28,29)25-12-9-14-3-1-2-4-18(14)25/h1-6,13,15H,7-12H2,(H2,23,26)
InChIKeySVOJTJNDLXEOBP-UHFFFAOYSA-N
XLogP2.43
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Indapamide
CID 3702
Abt-639
CID 46851313
2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2485627
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
2-Chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide
CID 126509556
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
2-[1-[(3,4-Dichlorophenyl)methyl]-2-oxo-5-piperidin-1-ylsulfonylindol-3-ylidene]propanedinitrile
CID 42618280
Indapamide, (S)-
CID 12598931
N-(3-chlorophenylsulfonyl)-3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885343
3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 46885385
N-(3-chlorophenylsulfonyl)-3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885504

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide (CID 2474738) is 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1.
What is the InChIKey of 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is SVOJTJNDLXEOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c22-17-6-5-16(21(27)24-10-7-15(8-11-24)20(23)26)13-19(17)30(28,29)25-12-9-14-3-1-2-4-18(14)25/h1-6,13,15H,7-12H2,(H2,23,26).
What are the key properties of 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide?
1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2474738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).