4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide

C12H8Cl2F2N2O2S — CID 60984177

IUPAC4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-7-2-1-3-10(11(7)14)18-21(19,20)12-8(15)4-6(17)5-9(12)16/h1-5,18H,17H2
InChIKeyJKPXROSLIKFXDU-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.65
Rot. Bonds3

About 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide

4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide (PubChem CID 60984177) has the molecular formula C12H8Cl2F2N2O2S and a molecular weight of 353.18 g/mol. Its IUPAC name is 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide
PubChem CID60984177
Molecular FormulaC12H8Cl2F2N2O2S
Molecular Weight353.18 g/mol
Exact Mass351.97
IUPAC Name4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-7-2-1-3-10(11(7)14)18-21(19,20)12-8(15)4-6(17)5-9(12)16/h1-5,18H,17H2
InChIKeyJKPXROSLIKFXDU-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.65
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-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
N-(2,3-dichlorophenyl)-3,5-difluorobenzenesulfonamide
CID 92510677
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
N-(2,3-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299163
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
N-(2,3-dichlorophenyl)-5-fluorothiophene-2-sulfonamide
CID 91969516
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
N-(3-amino-2,4,5-trifluorophenyl)-2,3-dichlorobenzenesulfonamide
CID 166081585
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2093570
N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide
CID 61013622

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide (CID 60984177) is 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide is Nc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(F)c1.
What is the InChIKey of 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is JKPXROSLIKFXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O2S/c13-7-2-1-3-10(11(7)14)18-21(19,20)12-8(15)4-6(17)5-9(12)16/h1-5,18H,17H2.
What are the key properties of 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide?
4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide has a molecular weight of 353.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 60984177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).