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

C14H14BrFN2O2S — CID 103144770

IUPACN-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Br)cc2F)c(C)cc1N
InChIInChI=1S/C14H14BrFN2O2S/c1-8-6-13(9(2)5-12(8)17)18-21(19,20)14-4-3-10(15)7-11(14)16/h3-7,18H,17H2,1-2H3
InChIKeyBDXMBLIOQDBJFF-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.59
Rot. Bonds3

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

N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide (PubChem CID 103144770) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
PubChem CID103144770
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Br)cc2F)c(C)cc1N
InChIInChI=1S/C14H14BrFN2O2S/c1-8-6-13(9(2)5-12(8)17)18-21(19,20)14-4-3-10(15)7-11(14)16/h3-7,18H,17H2,1-2H3
InChIKeyBDXMBLIOQDBJFF-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-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590903
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide (CID 103144770) is N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Br)cc2F)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide?
The InChIKey is BDXMBLIOQDBJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-8-6-13(9(2)5-12(8)17)18-21(19,20)14-4-3-10(15)7-11(14)16/h3-7,18H,17H2,1-2H3.
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide?
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-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 N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103144770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).