1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide

C16H24N2O3S — CID 110672112

IUPAC1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C16H24N2O3S/c1-12(2)6-4-5-9-17-22(20,21)14-7-8-15-13(10-14)11-16(19)18(15)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyFJMMGHXHJYGOOB-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.31
Rot. Bonds7

About 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide (PubChem CID 110672112) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
PubChem CID110672112
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C16H24N2O3S/c1-12(2)6-4-5-9-17-22(20,21)14-7-8-15-13(10-14)11-16(19)18(15)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyFJMMGHXHJYGOOB-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
N-[2-(1,3-dioxan-2-yl)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110370188
1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403443
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 110722075
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 126815166
1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 113083966

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide (CID 110672112) is 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide is CC(C)CCCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is FJMMGHXHJYGOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)6-4-5-9-17-22(20,21)14-7-8-15-13(10-14)11-16(19)18(15)3/h7-8,10,12,17H,4-6,9,11H2,1-3H3.
What are the key properties of 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 110672112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).