2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

C11H13Br2F2NO3S — CID 107483532

IUPAC2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N(CCO)CC(F)F)cc1Br
InChIInChI=1S/C11H13Br2F2NO3S/c1-7-4-9(13)10(5-8(7)12)20(18,19)16(2-3-17)6-11(14)15/h4-5,11,17H,2-3,6H2,1H3
InChIKeyFVUDYCJAGMOEIV-UHFFFAOYSA-N
MW437.10 g/mol
LogP2.77
Rot. Bonds6

About 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 107483532) has the molecular formula C11H13Br2F2NO3S and a molecular weight of 437.10 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID107483532
Molecular FormulaC11H13Br2F2NO3S
Molecular Weight437.10 g/mol
Exact Mass434.90
IUPAC Name2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N(CCO)CC(F)F)cc1Br
InChIInChI=1S/C11H13Br2F2NO3S/c1-7-4-9(13)10(5-8(7)12)20(18,19)16(2-3-17)6-11(14)15/h4-5,11,17H,2-3,6H2,1H3
InChIKeyFVUDYCJAGMOEIV-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.10
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 107483532) is 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)N(CCO)CC(F)F)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is FVUDYCJAGMOEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2F2NO3S/c1-7-4-9(13)10(5-8(7)12)20(18,19)16(2-3-17)6-11(14)15/h4-5,11,17H,2-3,6H2,1H3.
What are the key properties of 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 437.10 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 107483532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).