N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide

C16H15ClN2O3S — CID 42388549

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C16H15ClN2O3S/c1-11(20)19-9-8-12-10-13(6-7-15(12)19)18-23(21,22)16-5-3-2-4-14(16)17/h2-7,10,18H,8-9H2,1H3
InChIKeyYDCKLUVNZWUDTK-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.05
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide (PubChem CID 42388549) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
PubChem CID42388549
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C16H15ClN2O3S/c1-11(20)19-9-8-12-10-13(6-7-15(12)19)18-23(21,22)16-5-3-2-4-14(16)17/h2-7,10,18H,8-9H2,1H3
InChIKeyYDCKLUVNZWUDTK-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide
CID 42388544
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
CID 53092459
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chlorobenzenesulfonamide
CID 16943710
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 42388555
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide
CID 171343854
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-chlorophenyl)thiourea
CID 2727568
2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448556
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-5-chloro-N-pyridin-2-yl-2,3-dihydroindole-6-sulfonamide
CID 118906031
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide (CID 42388549) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide is CC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide?
The InChIKey is YDCKLUVNZWUDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-11(20)19-9-8-12-10-13(6-7-15(12)19)18-23(21,22)16-5-3-2-4-14(16)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 42388549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).