2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide

C13H7BrClF4NO2S — CID 162751860

IUPAC2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1Br
InChIInChI=1S/C13H7BrClF4NO2S/c14-8-9(16)10(17)11(18)12(19)13(8)23(21,22)20-5-6-3-1-2-4-7(6)15/h1-4,20H,5H2
InChIKeyWOOZZDUZZSPORA-UHFFFAOYSA-N
MW432.62 g/mol
LogP4.14
Rot. Bonds4

About 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide

2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide (PubChem CID 162751860) has the molecular formula C13H7BrClF4NO2S and a molecular weight of 432.62 g/mol. Its IUPAC name is 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide
PubChem CID162751860
Molecular FormulaC13H7BrClF4NO2S
Molecular Weight432.62 g/mol
Exact Mass430.90
IUPAC Name2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1Br
InChIInChI=1S/C13H7BrClF4NO2S/c14-8-9(16)10(17)11(18)12(19)13(8)23(21,22)20-5-6-3-1-2-4-7(6)15/h1-4,20H,5H2
InChIKeyWOOZZDUZZSPORA-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.62
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide (CID 162751860) is 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1Br.
What is the InChIKey of 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide?
The InChIKey is WOOZZDUZZSPORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF4NO2S/c14-8-9(16)10(17)11(18)12(19)13(8)23(21,22)20-5-6-3-1-2-4-7(6)15/h1-4,20H,5H2.
What are the key properties of 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide?
2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide has a molecular weight of 432.62 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-chlorophenyl)methyl]-3,4,5,6-tetrafluorobenzenesulfonamide is sourced from PubChem (CID 162751860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).