N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide

C10H12F3NO3S — CID 136532536

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide
SMILESCc1cccc(F)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H12F3NO3S/c1-7-3-2-4-8(11)9(7)18(16,17)14-5-10(12,13)6-15/h2-4,14-15H,5-6H2,1H3
InChIKeyDXCMXSWPKJCIAW-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.04
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide (PubChem CID 136532536) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide
PubChem CID136532536
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide
SMILESCc1cccc(F)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H12F3NO3S/c1-7-3-2-4-8(11)9(7)18(16,17)14-5-10(12,13)6-15/h2-4,14-15H,5-6H2,1H3
InChIKeyDXCMXSWPKJCIAW-UHFFFAOYSA-N
XLogP1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide (CID 136532536) is N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide is Cc1cccc(F)c1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide?
The InChIKey is DXCMXSWPKJCIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-7-3-2-4-8(11)9(7)18(16,17)14-5-10(12,13)6-15/h2-4,14-15H,5-6H2,1H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide is sourced from PubChem (CID 136532536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).