4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

C10H10BrCl2F2NO3S — CID 107483509

IUPAC4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CC(F)F
InChIInChI=1S/C10H10BrCl2F2NO3S/c11-6-3-7(12)10(8(13)4-6)20(18,19)16(1-2-17)5-9(14)15/h3-4,9,17H,1-2,5H2
InChIKeyCHRHXYZFYIGWKK-UHFFFAOYSA-N
MW413.07 g/mol
LogP3.00
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 107483509) has the molecular formula C10H10BrCl2F2NO3S and a molecular weight of 413.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID107483509
Molecular FormulaC10H10BrCl2F2NO3S
Molecular Weight413.07 g/mol
Exact Mass410.89
IUPAC Name4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CC(F)F
InChIInChI=1S/C10H10BrCl2F2NO3S/c11-6-3-7(12)10(8(13)4-6)20(18,19)16(1-2-17)5-9(14)15/h3-4,9,17H,1-2,5H2
InChIKeyCHRHXYZFYIGWKK-UHFFFAOYSA-N
XLogP3.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 107483509) is 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CC(F)F.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CHRHXYZFYIGWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2F2NO3S/c11-6-3-7(12)10(8(13)4-6)20(18,19)16(1-2-17)5-9(14)15/h3-4,9,17H,1-2,5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 413.07 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107483509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).