5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide

C10H9ClF2N2O3S — CID 104858800

IUPAC5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H9ClF2N2O3S/c11-8-2-1-7(4-14)9(3-8)19(17,18)15-5-10(12,13)6-16/h1-3,15-16H,5-6H2
InChIKeyCUZVYJXCEUQQTQ-UHFFFAOYSA-N
MW310.71 g/mol
LogP1.12
Rot. Bonds5

About 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide

5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide (PubChem CID 104858800) has the molecular formula C10H9ClF2N2O3S and a molecular weight of 310.71 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide
PubChem CID104858800
Molecular FormulaC10H9ClF2N2O3S
Molecular Weight310.71 g/mol
Exact Mass310.00
IUPAC Name5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C10H9ClF2N2O3S/c11-8-2-1-7(4-14)9(3-8)19(17,18)15-5-10(12,13)6-16/h1-3,15-16H,5-6H2
InChIKeyCUZVYJXCEUQQTQ-UHFFFAOYSA-N
XLogP1.12
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 68631683
2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide
CID 43501449
4-chloro-N-(3-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 43501538
2-chloro-N-(3-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzenesulfonamide
CID 65034328
4-chloro-N-(3-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 65034785
5-chloro-2-cyano-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 71967728
5-chloro-2-cyano-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82714682
3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834007
3-chloro-4-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834067
5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834086
5-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834116
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 103836795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide (CID 104858800) is 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide?
The InChIKey is CUZVYJXCEUQQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2O3S/c11-8-2-1-7(4-14)9(3-8)19(17,18)15-5-10(12,13)6-16/h1-3,15-16H,5-6H2.
What are the key properties of 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide?
5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide has a molecular weight of 310.71 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(2,2-difluoro-3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 104858800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).