5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide

C13H11BrClFN2O2S — CID 81252515

IUPAC5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1N
InChIInChI=1S/C13H11BrClFN2O2S/c1-7-4-10(16)13(6-11(7)17)21(19,20)18-12-3-2-8(15)5-9(12)14/h2-6,18H,17H2,1H3
InChIKeyWDOFVOIHFPFMNI-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.93
Rot. Bonds3

About 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide

5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide (PubChem CID 81252515) has the molecular formula C13H11BrClFN2O2S and a molecular weight of 393.67 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
PubChem CID81252515
Molecular FormulaC13H11BrClFN2O2S
Molecular Weight393.67 g/mol
Exact Mass391.94
IUPAC Name5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1N
InChIInChI=1S/C13H11BrClFN2O2S/c1-7-4-10(16)13(6-11(7)17)21(19,20)18-12-3-2-8(15)5-9(12)14/h2-6,18H,17H2,1H3
InChIKeyWDOFVOIHFPFMNI-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-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
5-amino-N-(3-bromo-2-methylphenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624447
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
5-amino-4-bromo-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 114625024
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide (CID 81252515) is 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide is Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1N.
What is the InChIKey of 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide?
The InChIKey is WDOFVOIHFPFMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2O2S/c1-7-4-10(16)13(6-11(7)17)21(19,20)18-12-3-2-8(15)5-9(12)14/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide?
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide 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-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 81252515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).