N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C18H20N2O3S — CID 42940837

IUPACN-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C18H20N2O3S/c1-3-19-24(22,23)16-9-6-8-15(12-16)18(21)20-13(2)11-14-7-4-5-10-17(14)20/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyHRWVBFWIULUIJO-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.58
Rot. Bonds4

About N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 42940837) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID42940837
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C18H20N2O3S/c1-3-19-24(22,23)16-9-6-8-15(12-16)18(21)20-13(2)11-14-7-4-5-10-17(14)20/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyHRWVBFWIULUIJO-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 109063192
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 51147421
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 55523351
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 25392039
(2S)-N-[4-(ethylsulfamoyl)phenyl]-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 27520493

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 42940837) is N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is CCNS(=O)(=O)c1cccc(C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is HRWVBFWIULUIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-19-24(22,23)16-9-6-8-15(12-16)18(21)20-13(2)11-14-7-4-5-10-17(14)20/h4-10,12-13,19H,3,11H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 42940837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).