4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

C11H12F2N2O3S — CID 75444382

IUPAC4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C11H12F2N2O3S/c1-2-8(6-16)15-19(17,18)11-9(12)3-7(5-14)4-10(11)13/h3-4,8,15-16H,2,6H2,1H3/t8-/m1/s1
InChIKeyPXXAIFWNSCJMGZ-MRVPVSSYSA-N
MW290.29 g/mol
LogP0.89
Rot. Bonds5

About 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 75444382) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID75444382
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C11H12F2N2O3S/c1-2-8(6-16)15-19(17,18)11-9(12)3-7(5-14)4-10(11)13/h3-4,8,15-16H,2,6H2,1H3/t8-/m1/s1
InChIKeyPXXAIFWNSCJMGZ-MRVPVSSYSA-N
XLogP0.89
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 75444382) is 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is PXXAIFWNSCJMGZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c1-2-8(6-16)15-19(17,18)11-9(12)3-7(5-14)4-10(11)13/h3-4,8,15-16H,2,6H2,1H3/t8-/m1/s1.
What are the key properties of 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 290.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2,6-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 75444382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).