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

C16H14Cl2N2O3S — CID 42388553

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C16H14Cl2N2O3S/c1-10(21)20-7-6-11-8-13(3-5-15(11)20)19-24(22,23)16-9-12(17)2-4-14(16)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeySUIYSOVATYBPIG-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.70
Rot. Bonds3

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

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide (PubChem CID 42388553) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
PubChem CID42388553
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C16H14Cl2N2O3S/c1-10(21)20-7-6-11-8-13(3-5-15(11)20)19-24(22,23)16-9-12(17)2-4-14(16)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeySUIYSOVATYBPIG-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,5-dichlorobenzenesulfonamide
CID 16943714
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide
CID 42388544
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
2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 18366778
1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452814
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990163
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide (CID 42388553) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide is CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is SUIYSOVATYBPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-10(21)20-7-6-11-8-13(3-5-15(11)20)19-24(22,23)16-9-12(17)2-4-14(16)18/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 385.27 g/mol, XLogP of 3.70, 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)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 42388553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).