3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide

C19H22N2O3S — CID 110384507

IUPAC3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCCc3ccccc3)cc21
InChIInChI=1S/C19H22N2O3S/c1-19(2)16-13-15(10-11-17(16)21-18(19)22)25(23,24)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,20H,6,9,12H2,1-2H3,(H,21,22)
InChIKeyNNYLEWAQOOYCQG-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.83
Rot. Bonds6

About 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide

3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide (PubChem CID 110384507) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
PubChem CID110384507
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCCc3ccccc3)cc21
InChIInChI=1S/C19H22N2O3S/c1-19(2)16-13-15(10-11-17(16)21-18(19)22)25(23,24)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,20H,6,9,12H2,1-2H3,(H,21,22)
InChIKeyNNYLEWAQOOYCQG-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921822
3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 50759991
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358
N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384518
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide
CID 154863606
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide (CID 110384507) is 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide is CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCCc3ccccc3)cc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide?
The InChIKey is NNYLEWAQOOYCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2)16-13-15(10-11-17(16)21-18(19)22)25(23,24)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,20H,6,9,12H2,1-2H3,(H,21,22).
What are the key properties of 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide?
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 110384507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).