3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide

C12H8BrClF2N2O2S — CID 62955830

IUPAC3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2c(F)cccc2F)c1Br
InChIInChI=1S/C12H8BrClF2N2O2S/c13-11-9(17)4-6(14)5-10(11)21(19,20)18-12-7(15)2-1-3-8(12)16/h1-5,18H,17H2
InChIKeyKZVQZVASXARQIA-UHFFFAOYSA-N
MW397.63 g/mol
LogP3.76
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide (PubChem CID 62955830) has the molecular formula C12H8BrClF2N2O2S and a molecular weight of 397.63 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide
PubChem CID62955830
Molecular FormulaC12H8BrClF2N2O2S
Molecular Weight397.63 g/mol
Exact Mass395.91
IUPAC Name3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2c(F)cccc2F)c1Br
InChIInChI=1S/C12H8BrClF2N2O2S/c13-11-9(17)4-6(14)5-10(11)21(19,20)18-12-7(15)2-1-3-8(12)16/h1-5,18H,17H2
InChIKeyKZVQZVASXARQIA-UHFFFAOYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide (CID 62955830) is 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2c(F)cccc2F)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide?
The InChIKey is KZVQZVASXARQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2O2S/c13-11-9(17)4-6(14)5-10(11)21(19,20)18-12-7(15)2-1-3-8(12)16/h1-5,18H,17H2.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide has a molecular weight of 397.63 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(2,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 62955830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).