N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide

C13H15BrN2O3S — CID 106073903

IUPACN-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cccc(C)c2Br)o1
InChIInChI=1S/C13H15BrN2O3S/c1-9-4-3-5-11(13(9)14)16-20(17,18)12-7-6-10(19-12)8-15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyQMUYZNARWAFSAL-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.87
Rot. Bonds5

About N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide

N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106073903) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106073903
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC NameN-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cccc(C)c2Br)o1
InChIInChI=1S/C13H15BrN2O3S/c1-9-4-3-5-11(13(9)14)16-20(17,18)12-7-6-10(19-12)8-15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyQMUYZNARWAFSAL-UHFFFAOYSA-N
XLogP2.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087052
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230
N-(3-bromo-2-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106088206
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
CID 106073882
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
CID 106081269
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171680
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide (CID 106073903) is N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2cccc(C)c2Br)o1.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is QMUYZNARWAFSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-9-4-3-5-11(13(9)14)16-20(17,18)12-7-6-10(19-12)8-15-2/h3-7,15-16H,8H2,1-2H3.
What are the key properties of N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106073903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).