5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide

C9H10BrF3N2O3S — CID 106165837

IUPAC5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC(F)(F)CO)c(Br)cc1F
InChIInChI=1S/C9H10BrF3N2O3S/c10-5-1-6(11)7(14)2-8(5)19(17,18)15-3-9(12,13)4-16/h1-2,15-16H,3-4,14H2
InChIKeyOUNQSNKNDZBVCV-UHFFFAOYSA-N
MW363.16 g/mol
LogP1.08
Rot. Bonds5

About 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide

5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide (PubChem CID 106165837) has the molecular formula C9H10BrF3N2O3S and a molecular weight of 363.16 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
PubChem CID106165837
Molecular FormulaC9H10BrF3N2O3S
Molecular Weight363.16 g/mol
Exact Mass361.95
IUPAC Name5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC(F)(F)CO)c(Br)cc1F
InChIInChI=1S/C9H10BrF3N2O3S/c10-5-1-6(11)7(14)2-8(5)19(17,18)15-3-9(12,13)4-16/h1-2,15-16H,3-4,14H2
InChIKeyOUNQSNKNDZBVCV-UHFFFAOYSA-N
XLogP1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 106165792
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274915
5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840238
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
CID 106165551
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106095528
5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106289392
5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
CID 66168567
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
1-(5-amino-2-bromo-4-fluorophenyl)sulfonyl-3-tert-butylurea
CID 116646532

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide (CID 106165837) is 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)NCC(F)(F)CO)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide?
The InChIKey is OUNQSNKNDZBVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O3S/c10-5-1-6(11)7(14)2-8(5)19(17,18)15-3-9(12,13)4-16/h1-2,15-16H,3-4,14H2.
What are the key properties of 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide?
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide has a molecular weight of 363.16 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106165837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).