3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

C27H29N3O5S2 — CID 4983147

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C27H29N3O5S2/c1-20-12-13-24(36(32,33)29-15-5-2-6-16-29)19-25(20)28-27(31)22-9-7-10-23(18-22)37(34,35)30-17-14-21-8-3-4-11-26(21)30/h3-4,7-13,18-19H,2,5-6,14-17H2,1H3,(H,28,31)
InChIKeyLSHRSFPNBJLLAQ-UHFFFAOYSA-N
MW539.68 g/mol
LogP4.17
Rot. Bonds6

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4983147) has the molecular formula C27H29N3O5S2 and a molecular weight of 539.68 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4983147
Molecular FormulaC27H29N3O5S2
Molecular Weight539.68 g/mol
Exact Mass539.15
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C27H29N3O5S2/c1-20-12-13-24(36(32,33)29-15-5-2-6-16-29)19-25(20)28-27(31)22-9-7-10-23(18-22)37(34,35)30-17-14-21-8-3-4-11-26(21)30/h3-4,7-13,18-19H,2,5-6,14-17H2,1H3,(H,28,31)
InChIKeyLSHRSFPNBJLLAQ-UHFFFAOYSA-N
XLogP4.17
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.68
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 55711809
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796768
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4541428
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55817081
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 4983147) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is LSHRSFPNBJLLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5S2/c1-20-12-13-24(36(32,33)29-15-5-2-6-16-29)19-25(20)28-27(31)22-9-7-10-23(18-22)37(34,35)30-17-14-21-8-3-4-11-26(21)30/h3-4,7-13,18-19H,2,5-6,14-17H2,1H3,(H,28,31).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 539.68 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4983147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).