4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide

C20H16ClN3O3S — CID 25162269

IUPAC4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H16ClN3O3S/c21-16-9-8-15(20(25)23-19-7-3-4-11-22-19)13-18(16)28(26,27)24-12-10-14-5-1-2-6-17(14)24/h1-9,11,13H,10,12H2,(H,22,23,25)
InChIKeyRZEPKRXJXHFHJC-UHFFFAOYSA-N
MW413.89 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide

4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide (PubChem CID 25162269) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
PubChem CID25162269
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H16ClN3O3S/c21-16-9-8-15(20(25)23-19-7-3-4-11-22-19)13-18(16)28(26,27)24-12-10-14-5-1-2-6-17(14)24/h1-9,11,13H,10,12H2,(H,22,23,25)
InChIKeyRZEPKRXJXHFHJC-UHFFFAOYSA-N
XLogP3.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
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N-(5-chloropyridin-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
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N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide
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CID 1322519
N-(5-Chloro-pyridin-2-yl)-3-diethylsulfamoyl-benzamide
CID 652548
2,4-Dichloro-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1078173
4-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1087757
N-(5-Chloro-pyridin-2-yl)-3-(pyrrolidine-1-sulfonyl)-benzamide
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CID 1310460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide (CID 25162269) is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide?
The InChIKey is RZEPKRXJXHFHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c21-16-9-8-15(20(25)23-19-7-3-4-11-22-19)13-18(16)28(26,27)24-12-10-14-5-1-2-6-17(14)24/h1-9,11,13H,10,12H2,(H,22,23,25).
What are the key properties of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide?
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide has a molecular weight of 413.89 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 25162269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).