5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide

C13H11BrClFN2O2S — CID 82744624

IUPAC5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1
InChIInChI=1S/C13H11BrClFN2O2S/c1-7-2-3-8(14)12(4-7)18-21(19,20)13-6-11(17)10(16)5-9(13)15/h2-6,18H,17H2,1H3
InChIKeyOPZXZWPIAKIUIF-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.93
Rot. Bonds3

About 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide

5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 82744624) has the molecular formula C13H11BrClFN2O2S and a molecular weight of 393.67 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
PubChem CID82744624
Molecular FormulaC13H11BrClFN2O2S
Molecular Weight393.67 g/mol
Exact Mass391.94
IUPAC Name5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1
InChIInChI=1S/C13H11BrClFN2O2S/c1-7-2-3-8(14)12(4-7)18-21(19,20)13-6-11(17)10(16)5-9(13)15/h2-6,18H,17H2,1H3
InChIKeyOPZXZWPIAKIUIF-UHFFFAOYSA-N
XLogP3.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.93
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

5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 81252515
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide (CID 82744624) is 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1.
What is the InChIKey of 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is OPZXZWPIAKIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2O2S/c1-7-2-3-8(14)12(4-7)18-21(19,20)13-6-11(17)10(16)5-9(13)15/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide?
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide has a molecular weight of 393.67 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 82744624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).