N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide

C18H24N2O3S — CID 50760174

IUPACN-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc21
InChIInChI=1S/C18H24N2O3S/c1-11(2)17-15-10-14(8-9-16(15)19-18(17)21)24(22,23)20-13-6-4-12(3)5-7-13/h8-10,12-13,20H,4-7H2,1-3H3,(H,19,21)
InChIKeyAPHMZGVYRLQBEY-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.29
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide

N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide (PubChem CID 50760174) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
PubChem CID50760174
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc21
InChIInChI=1S/C18H24N2O3S/c1-11(2)17-15-10-14(8-9-16(15)19-18(17)21)24(22,23)20-13-6-4-12(3)5-7-13/h8-10,12-13,20H,4-7H2,1-3H3,(H,19,21)
InChIKeyAPHMZGVYRLQBEY-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide (CID 50760174) is N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide is CC(C)=C1C(=O)Nc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc21.
What is the InChIKey of N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The InChIKey is APHMZGVYRLQBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-11(2)17-15-10-14(8-9-16(15)19-18(17)21)24(22,23)20-13-6-4-12(3)5-7-13/h8-10,12-13,20H,4-7H2,1-3H3,(H,19,21).
What are the key properties of N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.29, 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-3-propan-2-ylidene-1H-indole-5-sulfonamide is sourced from PubChem (CID 50760174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).