4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide

C21H23N3O4S — CID 55438572

IUPAC4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C21H23N3O4S/c22-20(25)15-4-6-16(7-5-15)21(26)24-13-10-17-14-18(8-9-19(17)24)29(27,28)23-11-2-1-3-12-23/h4-9,14H,1-3,10-13H2,(H2,22,25)
InChIKeyFGSJCHBXEKZWNY-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.16
Rot. Bonds4

About 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide

4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide (PubChem CID 55438572) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide.

Molecular Properties

Compound Name4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
PubChem CID55438572
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C21H23N3O4S/c22-20(25)15-4-6-16(7-5-15)21(26)24-13-10-17-14-18(8-9-19(17)24)29(27,28)23-11-2-1-3-12-23/h4-9,14H,1-3,10-13H2,(H2,22,25)
InChIKeyFGSJCHBXEKZWNY-UHFFFAOYSA-N
XLogP2.16
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
[4-(difluoromethoxy)phenyl]-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17414251
4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17440794
methyl 4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoate
CID 55433839
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 55667826
2-fluoro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 167990347
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 55438632
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064

Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide?
The IUPAC name of 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide (CID 55438572) is 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide.
What is the SMILES notation for 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide?
The canonical SMILES for 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide is NC(=O)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1.
What is the InChIKey of 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide?
The InChIKey is FGSJCHBXEKZWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c22-20(25)15-4-6-16(7-5-15)21(26)24-13-10-17-14-18(8-9-19(17)24)29(27,28)23-11-2-1-3-12-23/h4-9,14H,1-3,10-13H2,(H2,22,25).
What are the key properties of 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide?
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide is sourced from PubChem (CID 55438572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).