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

C19H20N2O3S — CID 46281899

IUPACN-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)c1
InChIInChI=1S/C19H20N2O3S/c1-4-13-6-5-7-14(10-13)21-25(23,24)15-8-9-17-16(11-15)18(12(2)3)19(22)20-17/h5-11,21H,4H2,1-3H3,(H,20,22)
InChIKeyNBMVTDJIAAEOJW-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.80
Rot. Bonds4

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

N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide (PubChem CID 46281899) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
PubChem CID46281899
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)c1
InChIInChI=1S/C19H20N2O3S/c1-4-13-6-5-7-14(10-13)21-25(23,24)15-8-9-17-16(11-15)18(12(2)3)19(22)20-17/h5-11,21H,4H2,1-3H3,(H,20,22)
InChIKeyNBMVTDJIAAEOJW-UHFFFAOYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.80
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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Related Compounds

N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281837
2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide
CID 176511184
N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 56582632
2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
CID 46281903
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281916
N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 164745289
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
N,N-dibutyl-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281844
N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 50760174
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
5-acetyl-N-(3-ethylphenyl)-3,4-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 53083611

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The IUPAC name of N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide (CID 46281899) is N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide is CCc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The InChIKey is NBMVTDJIAAEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-4-13-6-5-7-14(10-13)21-25(23,24)15-8-9-17-16(11-15)18(12(2)3)19(22)20-17/h5-11,21H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide is sourced from PubChem (CID 46281899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).