N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

C15H22N2O3S — CID 22582606

IUPACN-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C15H22N2O3S/c1-5-6-9-16-21(19,20)11-7-8-13-12(10-11)15(2,3)14(18)17(13)4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyWNWIWUULEPJQMV-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.02
Rot. Bonds5

About N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (PubChem CID 22582606) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
PubChem CID22582606
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C15H22N2O3S/c1-5-6-9-16-21(19,20)11-7-8-13-12(10-11)15(2,3)14(18)17(13)4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyWNWIWUULEPJQMV-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.02
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

1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
CID 22518795
N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
CID 56731556
N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 166272664
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
CID 20901007
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-cyclopentyl-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901002
5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one
CID 82172354
N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
CID 20903323
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]pentanamide
CID 110790328
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901009

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (CID 22582606) is N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is CCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C.
What is the InChIKey of N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The InChIKey is WNWIWUULEPJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-5-6-9-16-21(19,20)11-7-8-13-12(10-11)15(2,3)14(18)17(13)4/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 22582606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).