N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide

C15H18BrNO4S — CID 112823204

IUPACN-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)N(C)Cc2ccc(Br)o2)cc1C
InChIInChI=1S/C15H18BrNO4S/c1-10-7-13(8-11(2)15(10)20-4)22(18,19)17(3)9-12-5-6-14(16)21-12/h5-8H,9H2,1-4H3
InChIKeyBLLYFUHZHMYCGB-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.49
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide

N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide (PubChem CID 112823204) has the molecular formula C15H18BrNO4S and a molecular weight of 388.28 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
PubChem CID112823204
Molecular FormulaC15H18BrNO4S
Molecular Weight388.28 g/mol
Exact Mass387.01
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)N(C)Cc2ccc(Br)o2)cc1C
InChIInChI=1S/C15H18BrNO4S/c1-10-7-13(8-11(2)15(10)20-4)22(18,19)17(3)9-12-5-6-14(16)21-12/h5-8H,9H2,1-4H3
InChIKeyBLLYFUHZHMYCGB-UHFFFAOYSA-N
XLogP3.49
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,5-trimethylbenzenesulfonamide
CID 61115072
3-amino-N-[(5-bromofuran-2-yl)methyl]-5-chloro-N,4-dimethylbenzenesulfonamide
CID 61115068
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823029
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073791
N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine
CID 86984289
N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61047016
4-bromo-3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 103697188
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526090
6-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63871848
4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide
CID 112754384

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide (CID 112823204) is N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)N(C)Cc2ccc(Br)o2)cc1C.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide?
The InChIKey is BLLYFUHZHMYCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4S/c1-10-7-13(8-11(2)15(10)20-4)22(18,19)17(3)9-12-5-6-14(16)21-12/h5-8H,9H2,1-4H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide?
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide has a molecular weight of 388.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 112823204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).