3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide

C12H13BrN2O3S — CID 106885167

IUPAC3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2occc2Br)c1
InChIInChI=1S/C12H13BrN2O3S/c1-14-19(16,17)10-4-2-3-9(7-10)15-8-12-11(13)5-6-18-12/h2-7,14-15H,8H2,1H3
InChIKeyQEPZORWOOFYJNG-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.56
Rot. Bonds5

About 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide

3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 106885167) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID106885167
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2occc2Br)c1
InChIInChI=1S/C12H13BrN2O3S/c1-14-19(16,17)10-4-2-3-9(7-10)15-8-12-11(13)5-6-18-12/h2-7,14-15H,8H2,1H3
InChIKeyQEPZORWOOFYJNG-UHFFFAOYSA-N
XLogP2.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 105401205
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 103817901
N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 106885045
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 106885167) is 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2occc2Br)c1.
What is the InChIKey of 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is QEPZORWOOFYJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-14-19(16,17)10-4-2-3-9(7-10)15-8-12-11(13)5-6-18-12/h2-7,14-15H,8H2,1H3.
What are the key properties of 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide?
3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106885167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).