5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide

C12H16BrF2NO4S — CID 107483631

IUPAC5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H16BrF2NO4S/c1-2-20-10-4-3-9(13)7-11(10)21(18,19)16(5-6-17)8-12(14)15/h3-4,7,12,17H,2,5-6,8H2,1H3
InChIKeySUEXVPDYTKHNBA-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.10
Rot. Bonds8

About 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide

5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 107483631) has the molecular formula C12H16BrF2NO4S and a molecular weight of 388.23 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID107483631
Molecular FormulaC12H16BrF2NO4S
Molecular Weight388.23 g/mol
Exact Mass387.00
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H16BrF2NO4S/c1-2-20-10-4-3-9(13)7-11(10)21(18,19)16(5-6-17)8-12(14)15/h3-4,7,12,17H,2,5-6,8H2,1H3
InChIKeySUEXVPDYTKHNBA-UHFFFAOYSA-N
XLogP2.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879827
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 154755410
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
3-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 107479033
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477991
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
CID 3751126

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide (CID 107483631) is 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is SUEXVPDYTKHNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2NO4S/c1-2-20-10-4-3-9(13)7-11(10)21(18,19)16(5-6-17)8-12(14)15/h3-4,7,12,17H,2,5-6,8H2,1H3.
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide?
5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 388.23 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-2-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107483631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).