N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide

C12H8BrClF2N2O2S — CID 61013622

IUPACN-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide
SMILESNc1ccc(Cl)c(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C12H8BrClF2N2O2S/c13-8-3-6(15)4-10(16)12(8)21(19,20)18-11-5-7(17)1-2-9(11)14/h1-5,18H,17H2
InChIKeyHVNXDHVZIUQNJA-UHFFFAOYSA-N
MW397.63 g/mol
LogP3.76
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide

N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide (PubChem CID 61013622) has the molecular formula C12H8BrClF2N2O2S and a molecular weight of 397.63 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide
PubChem CID61013622
Molecular FormulaC12H8BrClF2N2O2S
Molecular Weight397.63 g/mol
Exact Mass395.91
IUPAC NameN-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide
SMILESNc1ccc(Cl)c(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C12H8BrClF2N2O2S/c13-8-3-6(15)4-10(16)12(8)21(19,20)18-11-5-7(17)1-2-9(11)14/h1-5,18H,17H2
InChIKeyHVNXDHVZIUQNJA-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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Related Compounds

2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
5-amino-2-chloro-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62810507
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide (CID 61013622) is N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide is Nc1ccc(Cl)c(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide?
The InChIKey is HVNXDHVZIUQNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2O2S/c13-8-3-6(15)4-10(16)12(8)21(19,20)18-11-5-7(17)1-2-9(11)14/h1-5,18H,17H2.
What are the key properties of N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide?
N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide 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 N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide is sourced from PubChem (CID 61013622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).