2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide

C12H18BrNO4S — CID 9185772

IUPAC2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C12H18BrNO4S/c1-5-8(2)14-19(15,16)12-7-11(18-4)10(17-3)6-9(12)13/h6-8,14H,5H2,1-4H3/t8-/m1/s1
InChIKeyPVZCRJQSAMKASL-MRVPVSSYSA-N
MW352.25 g/mol
LogP2.54
Rot. Bonds6

About 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide

2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide (PubChem CID 9185772) has the molecular formula C12H18BrNO4S and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide
PubChem CID9185772
Molecular FormulaC12H18BrNO4S
Molecular Weight352.25 g/mol
Exact Mass351.01
IUPAC Name2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C12H18BrNO4S/c1-5-8(2)14-19(15,16)12-7-11(18-4)10(17-3)6-9(12)13/h6-8,14H,5H2,1-4H3/t8-/m1/s1
InChIKeyPVZCRJQSAMKASL-MRVPVSSYSA-N
XLogP2.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide (CID 9185772) is 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide?
The InChIKey is PVZCRJQSAMKASL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18BrNO4S/c1-5-8(2)14-19(15,16)12-7-11(18-4)10(17-3)6-9(12)13/h6-8,14H,5H2,1-4H3/t8-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide?
2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide has a molecular weight of 352.25 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-butan-2-yl]-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 9185772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).