1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide

C16H16ClN3O3S — CID 118906147

IUPAC1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)(=O)Nc3ccc(C)cn3)cc21
InChIInChI=1S/C16H16ClN3O3S/c1-10-3-4-16(18-9-10)19-24(22,23)15-8-14-12(7-13(15)17)5-6-20(14)11(2)21/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyCZIQMKCOVPAOQZ-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.75
Rot. Bonds3

About 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 118906147) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID118906147
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Cl)c(S(=O)(=O)Nc3ccc(C)cn3)cc21
InChIInChI=1S/C16H16ClN3O3S/c1-10-3-4-16(18-9-10)19-24(22,23)15-8-14-12(7-13(15)17)5-6-20(14)11(2)21/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyCZIQMKCOVPAOQZ-UHFFFAOYSA-N
XLogP2.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
CID 118906031
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide
CID 113029784
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368
5-methyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803253

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide (CID 118906147) is 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2cc(Cl)c(S(=O)(=O)Nc3ccc(C)cn3)cc21.
What is the InChIKey of 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is CZIQMKCOVPAOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-10-3-4-16(18-9-10)19-24(22,23)15-8-14-12(7-13(15)17)5-6-20(14)11(2)21/h3-4,7-9H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-chloro-N-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 365.84 g/mol, XLogP of 2.75, 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-(5-methyl-2-pyridinyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 118906147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).