N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide

C15H16BrNO4S — CID 1184065

IUPACN-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C15H16BrNO4S/c1-20-13-8-12(16)15(9-14(13)21-2)22(18,19)17-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChIKeyGKUHHFPGUOKJCE-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.94
Rot. Bonds6

About N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide

N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide (PubChem CID 1184065) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
PubChem CID1184065
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC NameN-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C15H16BrNO4S/c1-20-13-8-12(16)15(9-14(13)21-2)22(18,19)17-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChIKeyGKUHHFPGUOKJCE-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide (CID 1184065) is N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide?
The InChIKey is GKUHHFPGUOKJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-20-13-8-12(16)15(9-14(13)21-2)22(18,19)17-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3.
What are the key properties of N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide?
N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1184065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).