5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide

C11H14ClF2NO3S — CID 107483556

IUPAC5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H14ClF2NO3S/c1-8-2-3-9(12)6-10(8)19(17,18)15(4-5-16)7-11(13)14/h2-3,6,11,16H,4-5,7H2,1H3
InChIKeyBIXXYIPQLSQQIY-UHFFFAOYSA-N
MW313.75 g/mol
LogP1.90
Rot. Bonds6

About 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide

5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 107483556) has the molecular formula C11H14ClF2NO3S and a molecular weight of 313.75 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID107483556
Molecular FormulaC11H14ClF2NO3S
Molecular Weight313.75 g/mol
Exact Mass313.04
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H14ClF2NO3S/c1-8-2-3-9(12)6-10(8)19(17,18)15(4-5-16)7-11(13)14/h2-3,6,11,16H,4-5,7H2,1H3
InChIKeyBIXXYIPQLSQQIY-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (CID 107483556) is 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is BIXXYIPQLSQQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO3S/c1-8-2-3-9(12)6-10(8)19(17,18)15(4-5-16)7-11(13)14/h2-3,6,11,16H,4-5,7H2,1H3.
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 313.75 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107483556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).