4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

C10H13BrF2N2O3S — CID 107477991

IUPAC4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(CCO)CC(F)F)cc1Br
InChIInChI=1S/C10H13BrF2N2O3S/c11-8-5-7(1-2-9(8)14)19(17,18)15(3-4-16)6-10(12)13/h1-2,5,10,16H,3-4,6,14H2
InChIKeyGRFXZZHPKCVVHM-UHFFFAOYSA-N
MW359.19 g/mol
LogP1.28
Rot. Bonds6

About 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 107477991) has the molecular formula C10H13BrF2N2O3S and a molecular weight of 359.19 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID107477991
Molecular FormulaC10H13BrF2N2O3S
Molecular Weight359.19 g/mol
Exact Mass357.98
IUPAC Name4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(CCO)CC(F)F)cc1Br
InChIInChI=1S/C10H13BrF2N2O3S/c11-8-5-7(1-2-9(8)14)19(17,18)15(3-4-16)6-10(12)13/h1-2,5,10,16H,3-4,6,14H2
InChIKeyGRFXZZHPKCVVHM-UHFFFAOYSA-N
XLogP1.28
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
3-amino-4-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115328994
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107483562
3-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 107479033
N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565
N-(2,2-difluoroethyl)-4-hydroxy-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 107481597
3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 107478040
4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230037
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 107483531
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 107485920
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide
CID 166223276

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 107477991) is 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)N(CCO)CC(F)F)cc1Br.
What is the InChIKey of 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is GRFXZZHPKCVVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF2N2O3S/c11-8-5-7(1-2-9(8)14)19(17,18)15(3-4-16)6-10(12)13/h1-2,5,10,16H,3-4,6,14H2.
What are the key properties of 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 359.19 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107477991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).