3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

C11H13F2NO3S — CID 66005031

IUPAC3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO3S/c12-10-2-1-9(5-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6H2
InChIKeyUNWVFMKPMYUPDC-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.01
Rot. Bonds4

About 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 66005031) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
PubChem CID66005031
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO3S/c12-10-2-1-9(5-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6H2
InChIKeyUNWVFMKPMYUPDC-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 82844731
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 115329563
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 86849113
4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66006962
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methylbenzoic acid
CID 66004912
2-chloro-4-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoic acid
CID 107090153
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (CID 66005031) is 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CC(O)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is UNWVFMKPMYUPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c12-10-2-1-9(5-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6H2.
What are the key properties of 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 277.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66005031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).