2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide

C12H8Cl2F2N2O2S — CID 43256148

IUPAC2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-1-10(14)12(11(17)2-6)21(19,20)18-9-4-7(15)3-8(16)5-9/h1-5,18H,17H2
InChIKeyAZBDNOVGFWMEPG-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.65
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide (PubChem CID 43256148) has the molecular formula C12H8Cl2F2N2O2S and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
PubChem CID43256148
Molecular FormulaC12H8Cl2F2N2O2S
Molecular Weight353.18 g/mol
Exact Mass351.97
IUPAC Name2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-1-10(14)12(11(17)2-6)21(19,20)18-9-4-7(15)3-8(16)5-9/h1-5,18H,17H2
InChIKeyAZBDNOVGFWMEPG-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

2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide
CID 43555514
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
2-amino-4,6-dichloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386798
2,6-dichloro-4-fluorobenzenesulfonohydrazide
CID 171367534
2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43256321

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide (CID 43256148) is 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide?
The InChIKey is AZBDNOVGFWMEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O2S/c13-6-1-10(14)12(11(17)2-6)21(19,20)18-9-4-7(15)3-8(16)5-9/h1-5,18H,17H2.
What are the key properties of 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide 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 2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43256148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).