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

C13H11Cl2FN2O2S — CID 105399609

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(N)c(Cl)cc1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H11Cl2FN2O2S/c1-7-4-11(17)10(15)6-12(7)18-21(19,20)13-5-8(16)2-3-9(13)14/h2-6,18H,17H2,1H3
InChIKeyVBESJFBMBLPZND-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.82
Rot. Bonds3

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

N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105399609) has the molecular formula C13H11Cl2FN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105399609
Molecular FormulaC13H11Cl2FN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(N)c(Cl)cc1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H11Cl2FN2O2S/c1-7-4-11(17)10(15)6-12(7)18-21(19,20)13-5-8(16)2-3-9(13)14/h2-6,18H,17H2,1H3
InChIKeyVBESJFBMBLPZND-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

N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105399609) is N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide is Cc1cc(N)c(Cl)cc1NS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is VBESJFBMBLPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2S/c1-7-4-11(17)10(15)6-12(7)18-21(19,20)13-5-8(16)2-3-9(13)14/h2-6,18H,17H2,1H3.
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-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 N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105399609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).