N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide

C12H16N2O3S — CID 103307344

IUPACN-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-2-7-18(16,17)14-12(15)10-8-13-11-6-4-3-5-9(10)11/h3-6,10,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyJGHNGBIYHATCCP-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.05
Rot. Bonds4

About N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide

N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 103307344) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID103307344
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-2-7-18(16,17)14-12(15)10-8-13-11-6-4-3-5-9(10)11/h3-6,10,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyJGHNGBIYHATCCP-UHFFFAOYSA-N
XLogP1.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
CID 5328618
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
5-(Azepan-1-ylsulfonyl)-3-methyl-1,3-dihydroindol-2-one
CID 16310991
1-methyl-2-oxo-N-(2-phenylpropyl)-3H-indole-5-sulfonamide
CID 16021499
3-isopropyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindoline-5-sulfonamide
CID 16024248
3-(2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]propanamide
CID 70693716
N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanesulfonamide
CID 162650323
1-(methylsulfonyl)-N-propyl-5-indolinecarboxamide
CID 3293798
N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858708
3-(2-aminoethyl)-1,3-dihydro-2H-indol-2-one
CID 21095
2-Indolinone, 3-(2-aminoethyl)-, hydrochloride
CID 21094
1'-propylspiro[1H-indole-3,3'-piperidine]-2-one;sulfuric acid
CID 12297096

Frequently Asked Questions

What is the IUPAC name of N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide (CID 103307344) is N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide is CCCS(=O)(=O)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is JGHNGBIYHATCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-7-18(16,17)14-12(15)10-8-13-11-6-4-3-5-9(10)11/h3-6,10,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide?
N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 103307344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).