N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C15H20N2O3S — CID 20858708

IUPACN-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H20N2O3S/c1-10-2-4-12(5-3-10)17-21(19,20)13-6-7-14-11(8-13)9-15(18)16-14/h6-8,10,12,17H,2-5,9H2,1H3,(H,16,18)
InChIKeyHIFKCPGDCBKEGX-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.04
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 20858708) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID20858708
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H20N2O3S/c1-10-2-4-12(5-3-10)17-21(19,20)13-6-7-14-11(8-13)9-15(18)16-14/h6-8,10,12,17H,2-5,9H2,1H3,(H,16,18)
InChIKeyHIFKCPGDCBKEGX-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 20858708) is N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is CC1CCC(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is HIFKCPGDCBKEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-2-4-12(5-3-10)17-21(19,20)13-6-7-14-11(8-13)9-15(18)16-14/h6-8,10,12,17H,2-5,9H2,1H3,(H,16,18).
What are the key properties of N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20858708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).