N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C18H20N2O3S — CID 3652315

IUPACN-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C)ccc21
InChIInChI=1S/C18H20N2O3S/c1-3-18(21)20-11-10-14-12-15(8-9-17(14)20)24(22,23)19-16-7-5-4-6-13(16)2/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyRRYMBXLOYHVVRE-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.09
Rot. Bonds4

About N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 3652315) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID3652315
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C)ccc21
InChIInChI=1S/C18H20N2O3S/c1-3-18(21)20-11-10-14-12-15(8-9-17(14)20)24(22,23)19-16-7-5-4-6-13(16)2/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyRRYMBXLOYHVVRE-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 3652315) is N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C)ccc21.
What is the InChIKey of N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RRYMBXLOYHVVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-18(21)20-11-10-14-12-15(8-9-17(14)20)24(22,23)19-16-7-5-4-6-13(16)2/h4-9,12,19H,3,10-11H2,1-2H3.
What are the key properties of N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3652315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).