5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide

C13H11BrF2N2O2S — CID 79041421

IUPAC5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cc(N)cc(Br)c2F)c1
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-2-8(15)4-10(3-7)18-21(19,20)12-6-9(17)5-11(14)13(12)16/h2-6,18H,17H2,1H3
InChIKeyZPNHXFMCSBOMEY-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.42
Rot. Bonds3

About 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide

5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide (PubChem CID 79041421) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
PubChem CID79041421
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC Name5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cc(N)cc(Br)c2F)c1
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-2-8(15)4-10(3-7)18-21(19,20)12-6-9(17)5-11(14)13(12)16/h2-6,18H,17H2,1H3
InChIKeyZPNHXFMCSBOMEY-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114625894
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 79041128
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79042026
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045
5-amino-3-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142080
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide (CID 79041421) is 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2cc(N)cc(Br)c2F)c1.
What is the InChIKey of 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide?
The InChIKey is ZPNHXFMCSBOMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-7-2-8(15)4-10(3-7)18-21(19,20)12-6-9(17)5-11(14)13(12)16/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide?
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide has a molecular weight of 377.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 79041421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).