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

C14H14ClFN2O2S — CID 163818062

IUPAC4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2c(F)cc(N)cc2Cl)cc1
InChIInChI=1S/C14H14ClFN2O2S/c1-18(2)21(19,20)11-5-3-9(4-6-11)14-12(15)7-10(17)8-13(14)16/h3-8H,17H2,1-2H3
InChIKeyNTAGMQYSWKYFNU-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.98
Rot. Bonds3

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

4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 163818062) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide
PubChem CID163818062
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2c(F)cc(N)cc2Cl)cc1
InChIInChI=1S/C14H14ClFN2O2S/c1-18(2)21(19,20)11-5-3-9(4-6-11)14-12(15)7-10(17)8-13(14)16/h3-8H,17H2,1-2H3
InChIKeyNTAGMQYSWKYFNU-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chloro-6-fluorophenyl]-N,N-dimethylbenzenesulfonamide
CID 85469997
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
3,5-dichloro-4-(4-fluorophenyl)aniline
CID 89422733
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
2-chloro-5-[4-(dimethylsulfamoyl)phenyl]benzoic acid
CID 53228824
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 110166676
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride
CID 172846418
4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
CID 12943036
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide (CID 163818062) is 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2c(F)cc(N)cc2Cl)cc1.
What is the InChIKey of 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is NTAGMQYSWKYFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-18(2)21(19,20)11-5-3-9(4-6-11)14-12(15)7-10(17)8-13(14)16/h3-8H,17H2,1-2H3.
What are the key properties of 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide?
4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chloro-6-fluorophenyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 163818062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).