5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide

C13H12BrFN2O2S — CID 65207218

IUPAC5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H12BrFN2O2S/c1-17(11-5-2-9(15)3-6-11)20(18,19)13-8-10(16)4-7-12(13)14/h2-8H,16H2,1H3
InChIKeyJJFKJNDEOHISGK-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.00
Rot. Bonds3

About 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide

5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 65207218) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID65207218
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC Name5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H12BrFN2O2S/c1-17(11-5-2-9(15)3-6-11)20(18,19)13-8-10(16)4-7-12(13)14/h2-8H,16H2,1H3
InChIKeyJJFKJNDEOHISGK-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65206643
5-amino-2-bromo-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 65206750
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733356
5-amino-2,3-difluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65020931
5-amino-2-bromo-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 65206520
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide
CID 28941589
2-amino-5-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733378
5-amino-2-bromo-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 65206521
2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004233
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide (CID 65207218) is 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide is CN(c1ccc(F)cc1)S(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is JJFKJNDEOHISGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-17(11-5-2-9(15)3-6-11)20(18,19)13-8-10(16)4-7-12(13)14/h2-8H,16H2,1H3.
What are the key properties of 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide?
5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 65207218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).