3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

C18H20N2O3S — CID 26681015

IUPAC3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H20N2O3S/c1-13(2)19-24(22,23)16-8-5-7-15(12-16)18(21)20-11-10-14-6-3-4-9-17(14)20/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyTXEJEXGLFMRWSI-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.58
Rot. Bonds4

About 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 26681015) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID26681015
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H20N2O3S/c1-13(2)19-24(22,23)16-8-5-7-15(12-16)18(21)20-11-10-14-6-3-4-9-17(14)20/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyTXEJEXGLFMRWSI-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

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31845243
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 109064798
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzenesulfonamide
CID 110348988
2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 9093988
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 109062908

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 26681015) is 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is TXEJEXGLFMRWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13(2)19-24(22,23)16-8-5-7-15(12-16)18(21)20-11-10-14-6-3-4-9-17(14)20/h3-9,12-13,19H,10-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide 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 3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 26681015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).