4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide

C14H14ClFN2O2S — CID 79569031

IUPAC4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H14ClFN2O2S/c1-8-5-11(17)6-9(2)14(8)21(19,20)18-13-4-3-10(15)7-12(13)16/h3-7,18H,17H2,1-2H3
InChIKeyRHZRWKMUAZEJQG-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide

4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 79569031) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID79569031
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H14ClFN2O2S/c1-8-5-11(17)6-9(2)14(8)21(19,20)18-13-4-3-10(15)7-12(13)16/h3-7,18H,17H2,1-2H3
InChIKeyRHZRWKMUAZEJQG-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

4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216
3-amino-5-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326661
6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide (CID 79569031) is 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is RHZRWKMUAZEJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-5-11(17)6-9(2)14(8)21(19,20)18-13-4-3-10(15)7-12(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide 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 4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79569031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).