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

C12H9Cl2FN2O2S — CID 61110957

IUPAC5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)cc1F
InChIInChI=1S/C12H9Cl2FN2O2S/c13-7-3-1-2-4-11(7)17-20(18,19)12-6-10(16)9(15)5-8(12)14/h1-6,17H,16H2
InChIKeyWIEZMYZHHTYQCX-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.52
Rot. Bonds3

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

5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 61110957) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
PubChem CID61110957
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC Name5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)cc1F
InChIInChI=1S/C12H9Cl2FN2O2S/c13-7-3-1-2-4-11(7)17-20(18,19)12-6-10(16)9(15)5-8(12)14/h1-6,17H,16H2
InChIKeyWIEZMYZHHTYQCX-UHFFFAOYSA-N
XLogP3.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.52
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

5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587500
5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 61111884
5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61112651

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide (CID 61110957) is 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is WIEZMYZHHTYQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c13-7-3-1-2-4-11(7)17-20(18,19)12-6-10(16)9(15)5-8(12)14/h1-6,17H,16H2.
What are the key properties of 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 335.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61110957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).