3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide

C18H19F2NO3S — CID 148954962

IUPAC3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(CC(=O)c2cc(F)cc(S(=O)(=O)NC(C)C)c2)ccc1F
InChIInChI=1S/C18H19F2NO3S/c1-11(2)21-25(23,24)16-9-14(8-15(19)10-16)18(22)7-13-4-5-17(20)12(3)6-13/h4-6,8-11,21H,7H2,1-3H3
InChIKeyPQQXXKVYKFFLSV-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.39
Rot. Bonds6

About 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide

3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 148954962) has the molecular formula C18H19F2NO3S and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID148954962
Molecular FormulaC18H19F2NO3S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(CC(=O)c2cc(F)cc(S(=O)(=O)NC(C)C)c2)ccc1F
InChIInChI=1S/C18H19F2NO3S/c1-11(2)21-25(23,24)16-9-14(8-15(19)10-16)18(22)7-13-4-5-17(20)12(3)6-13/h4-6,8-11,21H,7H2,1-3H3
InChIKeyPQQXXKVYKFFLSV-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(3S)-oxolan-3-yl]benzenesulfonamide;sulfane
CID 160717742
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide
CID 58143729
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
2-[(4-fluoro-3-methylphenyl)methyl]propanedioic acid
CID 170895434
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylbutanamide
CID 42928569
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide (CID 148954962) is 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide is Cc1cc(CC(=O)c2cc(F)cc(S(=O)(=O)NC(C)C)c2)ccc1F.
What is the InChIKey of 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PQQXXKVYKFFLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3S/c1-11(2)21-25(23,24)16-9-14(8-15(19)10-16)18(22)7-13-4-5-17(20)12(3)6-13/h4-6,8-11,21H,7H2,1-3H3.
What are the key properties of 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide?
3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 367.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 148954962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).