5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide

C13H11Cl2FN2O2S — CID 43258199

IUPAC5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C13H11Cl2FN2O2S/c1-7-9(14)3-2-4-11(7)18-21(19,20)12-6-8(17)5-10(15)13(12)16/h2-6,18H,17H2,1H3
InChIKeyJDCZDRMBLRIDMB-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.82
Rot. Bonds3

About 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 43258199) has the molecular formula C13H11Cl2FN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID43258199
Molecular FormulaC13H11Cl2FN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC Name5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C13H11Cl2FN2O2S/c1-7-9(14)3-2-4-11(7)18-21(19,20)12-6-8(17)5-10(15)13(12)16/h2-6,18H,17H2,1H3
InChIKeyJDCZDRMBLRIDMB-UHFFFAOYSA-N
XLogP3.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.82
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-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 103477337
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide (CID 43258199) is 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is JDCZDRMBLRIDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2S/c1-7-9(14)3-2-4-11(7)18-21(19,20)12-6-8(17)5-10(15)13(12)16/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 349.21 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43258199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).