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

C17H17ClN2O3S — CID 53092459

IUPACN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
SMILESCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C17H17ClN2O3S/c1-12(21)20-9-8-14-10-13(6-7-16(14)20)11-19-24(22,23)17-5-3-2-4-15(17)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyIIHZOLAAMVBRRO-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.73
Rot. Bonds4

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

N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide (PubChem CID 53092459) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
PubChem CID53092459
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
SMILESCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C17H17ClN2O3S/c1-12(21)20-9-8-14-10-13(6-7-16(14)20)11-19-24(22,23)17-5-3-2-4-15(17)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyIIHZOLAAMVBRRO-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-fluorobenzenesulfonamide
CID 53092465
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
3-chloro-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092691
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 55874007
3-chloro-4-fluoro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092634
2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102547

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide (CID 53092459) is N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide is CC(=O)N1CCc2cc(CNS(=O)(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide?
The InChIKey is IIHZOLAAMVBRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-12(21)20-9-8-14-10-13(6-7-16(14)20)11-19-24(22,23)17-5-3-2-4-15(17)18/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide?
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.73, 4 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)methyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 53092459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).