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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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).