N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide

C18H17FN2O3S — CID 46281916

IUPACN-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3C)cc21
InChIInChI=1S/C18H17FN2O3S/c1-10(2)17-14-9-13(5-7-16(14)20-18(17)22)25(23,24)21-15-6-4-12(19)8-11(15)3/h4-9,21H,1-3H3,(H,20,22)
InChIKeyVDMRFPLSMBIEGD-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.68
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide

N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide (PubChem CID 46281916) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
PubChem CID46281916
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3C)cc21
InChIInChI=1S/C18H17FN2O3S/c1-10(2)17-14-9-13(5-7-16(14)20-18(17)22)25(23,24)21-15-6-4-12(19)8-11(15)3/h4-9,21H,1-3H3,(H,20,22)
InChIKeyVDMRFPLSMBIEGD-UHFFFAOYSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.68
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-fluoro-2-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7667496
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-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281899
N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820383
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 50760174
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
CID 46281903
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093031

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide (CID 46281916) is N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide is CC(C)=C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3C)cc21.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The InChIKey is VDMRFPLSMBIEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-10(2)17-14-9-13(5-7-16(14)20-18(17)22)25(23,24)21-15-6-4-12(19)8-11(15)3/h4-9,21H,1-3H3,(H,20,22).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide is sourced from PubChem (CID 46281916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).