N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide

C12H8BrClF2N2O2S — CID 106605012

IUPACN-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide
SMILESNc1cc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(F)cc1F
InChIInChI=1S/C12H8BrClF2N2O2S/c13-7-3-6(1-2-8(7)14)21(19,20)18-12-5-11(17)9(15)4-10(12)16/h1-5,18H,17H2
InChIKeyYDEZYJZPWQUCOT-UHFFFAOYSA-N
MW397.63 g/mol
LogP3.76
Rot. Bonds3

About N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide

N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide (PubChem CID 106605012) has the molecular formula C12H8BrClF2N2O2S and a molecular weight of 397.63 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide
PubChem CID106605012
Molecular FormulaC12H8BrClF2N2O2S
Molecular Weight397.63 g/mol
Exact Mass395.91
IUPAC NameN-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide
SMILESNc1cc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(F)cc1F
InChIInChI=1S/C12H8BrClF2N2O2S/c13-7-3-6(1-2-8(7)14)21(19,20)18-12-5-11(17)9(15)4-10(12)16/h1-5,18H,17H2
InChIKeyYDEZYJZPWQUCOT-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

3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 106612798
3-amino-4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 115329248
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide (CID 106605012) is N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide is Nc1cc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide?
The InChIKey is YDEZYJZPWQUCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2O2S/c13-7-3-6(1-2-8(7)14)21(19,20)18-12-5-11(17)9(15)4-10(12)16/h1-5,18H,17H2.
What are the key properties of N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide?
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide 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-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106605012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).