6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide

C24H18FNO4S — CID 177490629

IUPAC6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)C2=C(c3ccccc3)C(=O)c3ccc(F)cc32)cc1
InChIInChI=1S/C24H18FNO4S/c1-15-8-11-18(12-9-15)31(29,30)26(2)24(28)22-20-14-17(25)10-13-19(20)23(27)21(22)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyWXNVGVRJFIROAR-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.09
Rot. Bonds4

About 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide

6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide (PubChem CID 177490629) has the molecular formula C24H18FNO4S and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide
PubChem CID177490629
Molecular FormulaC24H18FNO4S
Molecular Weight435.48 g/mol
Exact Mass435.09
IUPAC Name6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)C2=C(c3ccccc3)C(=O)c3ccc(F)cc32)cc1
InChIInChI=1S/C24H18FNO4S/c1-15-8-11-18(12-9-15)31(29,30)26(2)24(28)22-20-14-17(25)10-13-19(20)23(27)21(22)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyWXNVGVRJFIROAR-UHFFFAOYSA-N
XLogP4.09
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(4-fluorophenyl)prop-1-enyl]-2-(4-methylphenyl)sulfonyl-3H-isoindol-1-one
CID 52912662
(3S)-3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3H-isoindol-1-one
CID 57343159
(3S)-6-fluoro-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 57343163
(3S)-5-fluoro-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 57343164
N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide
CID 139261114
N-[(4-fluorophenyl)methyl]-N-(4-methylphenyl)sulfonylbenzamide
CID 139261118
N-[3-[2-(4-fluorophenyl)acetyl]phenyl]sulfonyl-N-methylcyclohexanecarboxamide
CID 152876740
N-butyl-N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174780435
N-(benzenesulfonyl)-N-[2-(cyclohexanecarbonyl)-3-fluoro-3-methylbutyl]benzamide
CID 175394231
[2-[[(3R,4Z)-4-ethylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]-phenylmethanone
CID 24805978
1-[(3R,6S)-4-benzoyl-6-ethyl-1-(4-methylphenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridin-3-yl]propan-2-one
CID 71659704
3-benzoyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2H-pyrrol-5-one
CID 102114248

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide (CID 177490629) is 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide is Cc1ccc(S(=O)(=O)N(C)C(=O)C2=C(c3ccccc3)C(=O)c3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide?
The InChIKey is WXNVGVRJFIROAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO4S/c1-15-8-11-18(12-9-15)31(29,30)26(2)24(28)22-20-14-17(25)10-13-19(20)23(27)21(22)16-6-4-3-5-7-16/h3-14H,1-2H3.
What are the key properties of 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide?
6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(4-methylphenyl)sulfonyl-3-oxo-2-phenylindene-1-carboxamide is sourced from PubChem (CID 177490629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).