N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 105399559

IUPACN-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)c2cc(F)ccc2Cl)cc1C
InChIInChI=1S/C14H14ClFN2O2S/c1-8-5-12(17)13(6-9(8)2)18-21(19,20)14-7-10(16)3-4-11(14)15/h3-7,18H,17H2,1-2H3
InChIKeyQOIARTOOQDOYRR-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide

N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105399559) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105399559
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)c2cc(F)ccc2Cl)cc1C
InChIInChI=1S/C14H14ClFN2O2S/c1-8-5-12(17)13(6-9(8)2)18-21(19,20)14-7-10(16)3-4-11(14)15/h3-7,18H,17H2,1-2H3
InChIKeyQOIARTOOQDOYRR-UHFFFAOYSA-N
XLogP3.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.48
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-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
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-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
5-amino-4-bromo-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 114625024
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105399559) is N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide is Cc1cc(N)c(NS(=O)(=O)c2cc(F)ccc2Cl)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is QOIARTOOQDOYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-5-12(17)13(6-9(8)2)18-21(19,20)14-7-10(16)3-4-11(14)15/h3-7,18H,17H2,1-2H3.
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105399559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).