4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide

C15H22FNO3S — CID 122497218

IUPAC4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC/C(=C/F)COc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C15H22FNO3S/c1-5-13(10-16)11-20-14-6-8-15(9-7-14)21(18,19)17(4)12(2)3/h6-10,12H,5,11H2,1-4H3/b13-10-
InChIKeyVXJIZVUNDMINJI-RAXLEYEMSA-N
MW315.41 g/mol
LogP3.36
Rot. Bonds7

About 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide

4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 122497218) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID122497218
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC/C(=C/F)COc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C15H22FNO3S/c1-5-13(10-16)11-20-14-6-8-15(9-7-14)21(18,19)17(4)12(2)3/h6-10,12H,5,11H2,1-4H3/b13-10-
InChIKeyVXJIZVUNDMINJI-RAXLEYEMSA-N
XLogP3.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropylsulfonyl)-4-[(2Z)-2-(fluoromethylidene)butoxy]benzene
CID 159986554
1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one
CID 158571654
tert-butyl N-[2-[[4-(dimethylsulfamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]carbamate
CID 123407065
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-ethylbenzenesulfonamide
CID 118117193
3-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenoxy]propanoic acid
CID 104551520
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
N-ethyl-4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methylbenzamide;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[(2E)-2-(fluoromethylidene)butoxy]-4-(2-methylpropylsulfonyl)benzene;1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]-3,3-dimethylbutan-1-one;1-[(2Z)-2-(fluoromethylidene)butoxy]-4-propylsulfonylbenzene
CID 158190410
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
CID 47215115
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-methyl-N-propan-2-ylbenzenesulfinamide
CID 137468653
N-methyl-4-propoxy-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711658
N-methyl-4-propoxy-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
CID 59983813

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 122497218) is 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide is CC/C(=C/F)COc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VXJIZVUNDMINJI-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-5-13(10-16)11-20-14-6-8-15(9-7-14)21(18,19)17(4)12(2)3/h6-10,12H,5,11H2,1-4H3/b13-10-.
What are the key properties of 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide?
4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(fluoromethylidene)butoxy]-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 122497218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).