3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide

C11H15F2NO3S — CID 115902690

IUPAC3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO3S/c1-11(2,7-15)14(3)18(16,17)8-4-5-9(12)10(13)6-8/h4-6,15H,7H2,1-3H3
InChIKeyKTBCJOSMQVFYCA-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.36
Rot. Bonds4

About 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide

3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 115902690) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID115902690
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO3S/c1-11(2,7-15)14(3)18(16,17)8-4-5-9(12)10(13)6-8/h4-6,15H,7H2,1-3H3
InChIKeyKTBCJOSMQVFYCA-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide (CID 115902690) is 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide is CN(C(C)(C)CO)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is KTBCJOSMQVFYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-11(2,7-15)14(3)18(16,17)8-4-5-9(12)10(13)6-8/h4-6,15H,7H2,1-3H3.
What are the key properties of 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115902690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).