5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide

C10H12BrF2NO4S — CID 103836787

IUPAC5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C10H12BrF2NO4S/c1-18-8-3-2-6(11)4-9(8)19(16,17)14-5-7(15)10(12)13/h2-4,7,10,14-15H,5H2,1H3
InChIKeyGMMMBSNFNCFDTM-UHFFFAOYSA-N
MW360.18 g/mol
LogP1.36
Rot. Bonds6

About 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide

5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide (PubChem CID 103836787) has the molecular formula C10H12BrF2NO4S and a molecular weight of 360.18 g/mol. Its IUPAC name is 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
PubChem CID103836787
Molecular FormulaC10H12BrF2NO4S
Molecular Weight360.18 g/mol
Exact Mass358.96
IUPAC Name5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C10H12BrF2NO4S/c1-18-8-3-2-6(11)4-9(8)19(16,17)14-5-7(15)10(12)13/h2-4,7,10,14-15H,5H2,1H3
InChIKeyGMMMBSNFNCFDTM-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 66107574
5-bromo-2-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429872
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 3338013

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide (CID 103836787) is 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide?
The InChIKey is GMMMBSNFNCFDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO4S/c1-18-8-3-2-6(11)4-9(8)19(16,17)14-5-7(15)10(12)13/h2-4,7,10,14-15H,5H2,1H3.
What are the key properties of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide has a molecular weight of 360.18 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 103836787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).