7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide

C12H13BrN2O3S — CID 118706561

IUPAC7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide
SMILESCc1ccc2c(S(=O)(=O)N(C)C)cc(Br)c(O)c2n1
InChIInChI=1S/C12H13BrN2O3S/c1-7-4-5-8-10(19(17,18)15(2)3)6-9(13)12(16)11(8)14-7/h4-6,16H,1-3H3
InChIKeySTOYBHUGNFBHFQ-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.26
Rot. Bonds2

About 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide

7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide (PubChem CID 118706561) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide.

Molecular Properties

Compound Name7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide
PubChem CID118706561
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide
SMILESCc1ccc2c(S(=O)(=O)N(C)C)cc(Br)c(O)c2n1
InChIInChI=1S/C12H13BrN2O3S/c1-7-4-5-8-10(19(17,18)15(2)3)6-9(13)12(16)11(8)14-7/h4-6,16H,1-3H3
InChIKeySTOYBHUGNFBHFQ-UHFFFAOYSA-N
XLogP2.26
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide?
The IUPAC name of 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide (CID 118706561) is 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide.
What is the SMILES notation for 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide?
The canonical SMILES for 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide is Cc1ccc2c(S(=O)(=O)N(C)C)cc(Br)c(O)c2n1.
What is the InChIKey of 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide?
The InChIKey is STOYBHUGNFBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-7-4-5-8-10(19(17,18)15(2)3)6-9(13)12(16)11(8)14-7/h4-6,16H,1-3H3.
What are the key properties of 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide?
7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-hydroxy-N,N,2-trimethylquinoline-5-sulfonamide is sourced from PubChem (CID 118706561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).