N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide

C11H15F2NO2S — CID 110781060

IUPACN-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO2S/c1-2-3-6-17(15,16)14-8-9-4-5-10(12)11(13)7-9/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyZOEFTIRRXSHFPB-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.18
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide

N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide (PubChem CID 110781060) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
PubChem CID110781060
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC NameN-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO2S/c1-2-3-6-17(15,16)14-8-9-4-5-10(12)11(13)7-9/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyZOEFTIRRXSHFPB-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
N-[(3-chloro-4-fluorophenyl)methyl]-3-(propylamino)propane-1-sulfonamide
CID 106055514
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
CID 47371399
N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
CID 110781946
2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide
CID 47070120
N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
CID 19680731
5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
CID 43246908
N-[(3,4-difluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54906046
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide (CID 110781060) is N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide?
The InChIKey is ZOEFTIRRXSHFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-2-3-6-17(15,16)14-8-9-4-5-10(12)11(13)7-9/h4-5,7,14H,2-3,6,8H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide?
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide has a molecular weight of 263.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110781060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).