2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide

C14H14BrNO3S — CID 47310105

IUPAC2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H14BrNO3S/c1-19-10-11-6-2-4-8-13(11)16-20(17,18)14-9-5-3-7-12(14)15/h2-9,16H,10H2,1H3
InChIKeyQEVAUICLHBAKFS-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.40
Rot. Bonds5

About 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide

2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide (PubChem CID 47310105) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
PubChem CID47310105
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H14BrNO3S/c1-19-10-11-6-2-4-8-13(11)16-20(17,18)14-9-5-3-7-12(14)15/h2-9,16H,10H2,1H3
InChIKeyQEVAUICLHBAKFS-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249722
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
N-[2-(methoxymethyl)phenyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62151716
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 62999128
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide (CID 47310105) is 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide is COCc1ccccc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide?
The InChIKey is QEVAUICLHBAKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-19-10-11-6-2-4-8-13(11)16-20(17,18)14-9-5-3-7-12(14)15/h2-9,16H,10H2,1H3.
What are the key properties of 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide?
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 47310105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).