2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide

C14H14BrFN2O2S — CID 60986095

IUPAC2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-10(15)6-9(2)14(8)18-21(19,20)13-7-11(16)3-4-12(13)17/h3-7,18H,17H2,1-2H3
InChIKeyMXFONABGGMUHNS-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.59
Rot. Bonds3

About 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide

2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide (PubChem CID 60986095) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
PubChem CID60986095
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-10(15)6-9(2)14(8)18-21(19,20)13-7-11(16)3-4-12(13)17/h3-7,18H,17H2,1-2H3
InChIKeyMXFONABGGMUHNS-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.59
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

2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 43550987
N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 43550996
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
CID 79048558
2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
CID 65469250
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide (CID 60986095) is 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide is Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide?
The InChIKey is MXFONABGGMUHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-8-5-10(15)6-9(2)14(8)18-21(19,20)13-7-11(16)3-4-12(13)17/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide?
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 60986095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).