2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

C13H14BrNO3S — CID 47387654

IUPAC2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H14BrNO3S/c1-10-11(7-8-18-10)9-15(2)19(16,17)13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3
InChIKeyLWMNRFRJZVFEDO-UHFFFAOYSA-N
MW344.23 g/mol
LogP3.17
Rot. Bonds4

About 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 47387654) has the molecular formula C13H14BrNO3S and a molecular weight of 344.23 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID47387654
Molecular FormulaC13H14BrNO3S
Molecular Weight344.23 g/mol
Exact Mass342.99
IUPAC Name2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H14BrNO3S/c1-10-11(7-8-18-10)9-15(2)19(16,17)13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3
InChIKeyLWMNRFRJZVFEDO-UHFFFAOYSA-N
XLogP3.17
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (CID 47387654) is 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is Cc1occc1CN(C)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is LWMNRFRJZVFEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S/c1-10-11(7-8-18-10)9-15(2)19(16,17)13-6-4-3-5-12(13)14/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47387654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).