N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide

C16H24N2O3S — CID 56731556

IUPACN-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C16H24N2O3S/c1-6-7-8-17-22(20,21)12-9-11(2)14-13(10-12)16(3,4)15(19)18(14)5/h9-10,17H,6-8H2,1-5H3
InChIKeyZSQWPVWVUNMXMS-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.33
Rot. Bonds5

About N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide

N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide (PubChem CID 56731556) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
PubChem CID56731556
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C16H24N2O3S/c1-6-7-8-17-22(20,21)12-9-11(2)14-13(10-12)16(3,4)15(19)18(14)5/h9-10,17H,6-8H2,1-5H3
InChIKeyZSQWPVWVUNMXMS-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.33
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-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide
CID 56731536
N-butyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
CID 81434541
1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
CID 22518795
N-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56731590
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
N-butyl-4-methyl-3-nitrobenzenesulfonamide
CID 2836737
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
5-amino-1-N,3-N-didodecylbenzene-1,3-disulfonamide
CID 91728635

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide (CID 56731556) is N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide is CCCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2C.
What is the InChIKey of N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide?
The InChIKey is ZSQWPVWVUNMXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-6-7-8-17-22(20,21)12-9-11(2)14-13(10-12)16(3,4)15(19)18(14)5/h9-10,17H,6-8H2,1-5H3.
What are the key properties of N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide?
N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 56731556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).