1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide

C15H14ClN3O3S — CID 118906031

IUPAC1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)(=O)Nc3ccccn3)cc21
InChIInChI=1S/C15H14ClN3O3S/c1-10(20)19-7-5-11-8-12(16)14(9-13(11)19)23(21,22)18-15-4-2-3-6-17-15/h2-4,6,8-9H,5,7H2,1H3,(H,17,18)
InChIKeyDXTGRUXPYWAMTF-UHFFFAOYSA-N
MW351.82 g/mol
LogP2.44
Rot. Bonds3

About 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide (PubChem CID 118906031) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
PubChem CID118906031
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC Name1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)(=O)Nc3ccccn3)cc21
InChIInChI=1S/C15H14ClN3O3S/c1-10(20)19-7-5-11-8-12(16)14(9-13(11)19)23(21,22)18-15-4-2-3-6-17-15/h2-4,6,8-9H,5,7H2,1H3,(H,17,18)
InChIKeyDXTGRUXPYWAMTF-UHFFFAOYSA-N
XLogP2.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide
CID 118906147
1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide
CID 145018712
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
2-[4-chloro-2-methyl-5-(pyridin-2-ylsulfamoyl)phenoxy]acetamide
CID 992277
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
CID 53092459
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368
1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 58565725
1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46374657
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide (CID 118906031) is 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2cc(Cl)c(S(=O)(=O)Nc3ccccn3)cc21.
What is the InChIKey of 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is DXTGRUXPYWAMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-10(20)19-7-5-11-8-12(16)14(9-13(11)19)23(21,22)18-15-4-2-3-6-17-15/h2-4,6,8-9H,5,7H2,1H3,(H,17,18).
What are the key properties of 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 351.82 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 118906031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).