5-bromo-3-chloro-2-methoxybenzenesulfonamide

C7H7BrClNO3S — CID 43164411

IUPAC5-bromo-3-chloro-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyCWBKZDQHBGGFAR-UHFFFAOYSA-N
MW300.56 g/mol
LogP1.76
Rot. Bonds2

About 5-bromo-3-chloro-2-methoxybenzenesulfonamide

5-bromo-3-chloro-2-methoxybenzenesulfonamide (PubChem CID 43164411) has the molecular formula C7H7BrClNO3S and a molecular weight of 300.56 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-methoxybenzenesulfonamide
PubChem CID43164411
Molecular FormulaC7H7BrClNO3S
Molecular Weight300.56 g/mol
Exact Mass298.90
IUPAC Name5-bromo-3-chloro-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyCWBKZDQHBGGFAR-UHFFFAOYSA-N
XLogP1.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-methoxybenzenesulfonamide (CID 43164411) is 5-bromo-3-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-methoxybenzenesulfonamide is COc1c(Cl)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-3-chloro-2-methoxybenzenesulfonamide?
The InChIKey is CWBKZDQHBGGFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 5-bromo-3-chloro-2-methoxybenzenesulfonamide?
5-bromo-3-chloro-2-methoxybenzenesulfonamide has a molecular weight of 300.56 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43164411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).