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

C15H14ClN3O2S — CID 145018712

IUPAC1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)Nc3ccccn3)cc21
InChIInChI=1S/C15H14ClN3O2S/c1-10(20)19-7-5-11-8-12(16)14(9-13(11)19)22(21)18-15-4-2-3-6-17-15/h2-4,6,8-9H,5,7H2,1H3,(H,17,18)
InChIKeySMZPJFDIOYMNHC-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.78
Rot. Bonds3

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

1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide (PubChem CID 145018712) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide
PubChem CID145018712
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)Nc3ccccn3)cc21
InChIInChI=1S/C15H14ClN3O2S/c1-10(20)19-7-5-11-8-12(16)14(9-13(11)19)22(21)18-15-4-2-3-6-17-15/h2-4,6,8-9H,5,7H2,1H3,(H,17,18)
InChIKeySMZPJFDIOYMNHC-UHFFFAOYSA-N
XLogP2.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-chloro-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide
CID 145018701
1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
CID 118906031
sodium 1-acetyl-6-chloro-2,3-dihydroindole-5-sulfinate
CID 165449431
1-acetyl-5-bromo-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-6-sulfinamide
CID 145018681
1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide
CID 118906147
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
CID 53092459
sodium 1-acetyl-2,3-dihydroindole-5-sulfinate
CID 114287127
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propan-1-one
CID 42952445
1-[5-bromo-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 46504137
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide?
The IUPAC name of 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide (CID 145018712) is 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide?
The canonical SMILES for 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide is CC(=O)N1CCc2cc(Cl)c(S(=O)Nc3ccccn3)cc21.
What is the InChIKey of 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide?
The InChIKey is SMZPJFDIOYMNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10(20)19-7-5-11-8-12(16)14(9-13(11)19)22(21)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-sulfinamide?
1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide has a molecular weight of 335.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfinamide is sourced from PubChem (CID 145018712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).