5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide

C12H8Br2ClFN2O2S — CID 61466244

IUPAC5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H8Br2ClFN2O2S/c13-6-1-2-8(14)10(3-6)18-21(19,20)11-5-7(17)4-9(15)12(11)16/h1-5,18H,17H2
InChIKeyBGKXJDZXGISCIY-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.39
Rot. Bonds3

About 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide (PubChem CID 61466244) has the molecular formula C12H8Br2ClFN2O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
PubChem CID61466244
Molecular FormulaC12H8Br2ClFN2O2S
Molecular Weight458.53 g/mol
Exact Mass455.83
IUPAC Name5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H8Br2ClFN2O2S/c13-6-1-2-8(14)10(3-6)18-21(19,20)11-5-7(17)4-9(15)12(11)16/h1-5,18H,17H2
InChIKeyBGKXJDZXGISCIY-UHFFFAOYSA-N
XLogP4.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.39
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

N-(4-bromophenyl)-3-chlorobenzenesulfonamide
CID 8190105
N-(4-bromo-2-fluorophenyl)-3-chlorobenzenesulfonamide
CID 983861
N-(2-bromo-6-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 71859122
3-Amino-2-bromo-5-chlorobenzene-1-sulfonamide
CID 62956345
N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 1190447
N-(4-bromo-3-chlorophenyl)-4-fluorobenzenesulfonamide
CID 2210341
2-bromo-N-(3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 25580583
N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 28939218
N-(5-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 62908055
N-(3-bromo-5-chloro-2-fluorophenyl)-2,6-difluorobenzenesulfonamide
CID 117717919
4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 134367201
4-bromo-3-chloro-N-(3-fluorophenyl)benzenesulfonamide
CID 134367279

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide (CID 61466244) is 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is BGKXJDZXGISCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClFN2O2S/c13-6-1-2-8(14)10(3-6)18-21(19,20)11-5-7(17)4-9(15)12(11)16/h1-5,18H,17H2.
What are the key properties of 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 458.53 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 61466244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).