N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide

C11H15F2NO2S — CID 110780977

IUPACN-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO2S/c1-2-3-6-17(15,16)14-8-9-7-10(12)4-5-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyJXJDMWSWQOICRB-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.18
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide

N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide (PubChem CID 110780977) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
PubChem CID110780977
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC NameN-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO2S/c1-2-3-6-17(15,16)14-8-9-7-10(12)4-5-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyJXJDMWSWQOICRB-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-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106065163
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
CID 19680731
N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
CID 110783047
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 63790846
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996
N-[(2,4-difluorophenyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106055191

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide (CID 110780977) is N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide?
The InChIKey is JXJDMWSWQOICRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-2-3-6-17(15,16)14-8-9-7-10(12)4-5-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide?
N-[(2,5-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-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110780977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).