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

C12H9Cl2FN2O2S — CID 105399440

IUPACN-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O2S/c13-9-3-1-7(15)5-12(9)20(18,19)17-11-4-2-8(16)6-10(11)14/h1-6,17H,16H2
InChIKeyNTVLDYSSCMLDBX-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.52
Rot. Bonds3

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

N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105399440) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105399440
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC NameN-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O2S/c13-9-3-1-7(15)5-12(9)20(18,19)17-11-4-2-8(16)6-10(11)14/h1-6,17H,16H2
InChIKeyNTVLDYSSCMLDBX-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

N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
5-amino-2-chloro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62810507
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105399440) is N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is NTVLDYSSCMLDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c13-9-3-1-7(15)5-12(9)20(18,19)17-11-4-2-8(16)6-10(11)14/h1-6,17H,16H2.
What are the key properties of N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(4-amino-2-chlorophenyl)-2-chloro-5-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 N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105399440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).