N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide

C12H7Cl2F3N2O2S — CID 166081585

IUPACN-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide
SMILESNc1c(F)c(F)cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C12H7Cl2F3N2O2S/c13-5-2-1-3-8(9(5)14)22(20,21)19-7-4-6(15)10(16)12(18)11(7)17/h1-4,19H,18H2
InChIKeyYWZMBDFRAONRIC-UHFFFAOYSA-N
MW371.17 g/mol
LogP3.79
Rot. Bonds3

About N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide

N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide (PubChem CID 166081585) has the molecular formula C12H7Cl2F3N2O2S and a molecular weight of 371.17 g/mol. Its IUPAC name is N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide
PubChem CID166081585
Molecular FormulaC12H7Cl2F3N2O2S
Molecular Weight371.17 g/mol
Exact Mass369.96
IUPAC NameN-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide
SMILESNc1c(F)c(F)cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C12H7Cl2F3N2O2S/c13-5-2-1-3-8(9(5)14)22(20,21)19-7-4-6(15)10(16)12(18)11(7)17/h1-4,19H,18H2
InChIKeyYWZMBDFRAONRIC-UHFFFAOYSA-N
XLogP3.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2093570
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide
CID 60984177
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 154840283
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
CID 139011372
5-amino-2-chloro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62810507
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide (CID 166081585) is N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide is Nc1c(F)c(F)cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F.
What is the InChIKey of N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is YWZMBDFRAONRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O2S/c13-5-2-1-3-8(9(5)14)22(20,21)19-7-4-6(15)10(16)12(18)11(7)17/h1-4,19H,18H2.
What are the key properties of N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide?
N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 371.17 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 166081585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).