2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide

C12H15F2NO3S — CID 110875681

IUPAC2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO3S/c13-10-1-2-12(11(14)7-10)19(16,17)15-8-9-3-5-18-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyRASIBIXZGOVSIL-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.67
Rot. Bonds4

About 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide

2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 110875681) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID110875681
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO3S/c13-10-1-2-12(11(14)7-10)19(16,17)15-8-9-3-5-18-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyRASIBIXZGOVSIL-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide
CID 106125576
2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 79187243
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
2,5-dibromo-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210127
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
5-amino-2-fluoro-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 80645574
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
6-fluoro-9,9-dimethyl-N-(oxan-4-ylmethyl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide
CID 24960778
6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide
CID 91290116

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 110875681) is 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is RASIBIXZGOVSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-10-1-2-12(11(14)7-10)19(16,17)15-8-9-3-5-18-6-4-9/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 291.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110875681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).