N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen

C17H19ClN2O3S — CID 161351368

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc21.[H][H]
InChIInChI=1S/C17H17ClN2O3S.H2/c1-11-15(18)4-3-5-17(11)24(22,23)19-14-6-7-16-13(10-14)8-9-20(16)12(2)21;/h3-7,10,19H,8-9H2,1-2H3;1H
InChIKeyVNYWOAUKKMJANF-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.60
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen (PubChem CID 161351368) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
PubChem CID161351368
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc21.[H][H]
InChIInChI=1S/C17H17ClN2O3S.H2/c1-11-15(18)4-3-5-17(11)24(22,23)19-14-6-7-16-13(10-14)8-9-20(16)12(2)21;/h3-7,10,19H,8-9H2,1-2H3;1H
InChIKeyVNYWOAUKKMJANF-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen (CID 161351368) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen is CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc21.[H][H].
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen?
The InChIKey is VNYWOAUKKMJANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S.H2/c1-11-15(18)4-3-5-17(11)24(22,23)19-14-6-7-16-13(10-14)8-9-20(16)12(2)21;/h3-7,10,19H,8-9H2,1-2H3;1H.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen has a molecular weight of 366.87 g/mol, XLogP of 3.60, 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)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161351368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).