N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide

C13H11BrF2N2O2S — CID 43550987

IUPACN-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-4-8(14)5-11(17)13(7)18-21(19,20)12-6-9(15)2-3-10(12)16/h2-6,18H,17H2,1H3
InChIKeyHCDOQGMJJMYVPG-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.42
Rot. Bonds3

About N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide

N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide (PubChem CID 43550987) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
PubChem CID43550987
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-4-8(14)5-11(17)13(7)18-21(19,20)12-6-9(15)2-3-10(12)16/h2-6,18H,17H2,1H3
InChIKeyHCDOQGMJJMYVPG-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

N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 43550996
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 81421965
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249
N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454204
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide (CID 43550987) is N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide is Cc1cc(Br)cc(N)c1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is HCDOQGMJJMYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-7-4-8(14)5-11(17)13(7)18-21(19,20)12-6-9(15)2-3-10(12)16/h2-6,18H,17H2,1H3.
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide?
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide 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 N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 43550987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).