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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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).