2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide

C14H14BrFN2O2S — CID 43555520

IUPAC2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2cc(Br)ccc2F)cc1C
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-12(17)14(6-9(8)2)21(19,20)18-13-7-10(15)3-4-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyRJIKQMRVBKVEMW-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.59
Rot. Bonds3

About 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 43555520) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
PubChem CID43555520
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2cc(Br)ccc2F)cc1C
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-12(17)14(6-9(8)2)21(19,20)18-13-7-10(15)3-4-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyRJIKQMRVBKVEMW-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-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 43555521
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
CID 103144770
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590903
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide (CID 43555520) is 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(N)c(S(=O)(=O)Nc2cc(Br)ccc2F)cc1C.
What is the InChIKey of 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is RJIKQMRVBKVEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-8-5-12(17)14(6-9(8)2)21(19,20)18-13-7-10(15)3-4-11(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide 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-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43555520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).