N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 60973193

IUPACN-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)c(C)c1N
InChIInChI=1S/C14H14ClFN2O2S/c1-8-3-5-12(9(2)14(8)17)18-21(19,20)13-6-4-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyHWBTZTDYSLGFAV-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide

N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide (PubChem CID 60973193) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
PubChem CID60973193
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)c(C)c1N
InChIInChI=1S/C14H14ClFN2O2S/c1-8-3-5-12(9(2)14(8)17)18-21(19,20)13-6-4-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyHWBTZTDYSLGFAV-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-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47104375
N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
CID 60971852
N-(3-amino-2,4-difluorophenyl)-3-fluoro-2,4-dimethylbenzenesulfonamide
CID 171763125
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 81252515
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide (CID 60973193) is N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)c(C)c1N.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is HWBTZTDYSLGFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-3-5-12(9(2)14(8)17)18-21(19,20)13-6-4-10(15)7-11(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide?
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-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-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 60973193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).