5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide

C13H11Cl2FN2O2S — CID 79898634

IUPAC5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2FN2O2S/c1-7-11(16)5-9(17)6-13(7)21(19,20)18-12-4-8(14)2-3-10(12)15/h2-6,18H,17H2,1H3
InChIKeyQUBQPOPDXSOURE-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.82
Rot. Bonds3

About 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 79898634) has the molecular formula C13H11Cl2FN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
PubChem CID79898634
Molecular FormulaC13H11Cl2FN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC Name5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2FN2O2S/c1-7-11(16)5-9(17)6-13(7)21(19,20)18-12-4-8(14)2-3-10(12)15/h2-6,18H,17H2,1H3
InChIKeyQUBQPOPDXSOURE-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-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide (CID 79898634) is 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is QUBQPOPDXSOURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2S/c1-7-11(16)5-9(17)6-13(7)21(19,20)18-12-4-8(14)2-3-10(12)15/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide 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-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 79898634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).