N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

C14H18N2O4S — CID 106031218

IUPACN-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)o1
InChIInChI=1S/C14H18N2O4S/c1-10-14(8-13(20-10)9-15-2)21(17,18)16-11-4-6-12(19-3)7-5-11/h4-8,15-16H,9H2,1-3H3
InChIKeyZTHJQPDBCWHHEK-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.12
Rot. Bonds6

About N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 106031218) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID106031218
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)o1
InChIInChI=1S/C14H18N2O4S/c1-10-14(8-13(20-10)9-15-2)21(17,18)16-11-4-6-12(19-3)7-5-11/h4-8,15-16H,9H2,1-3H3
InChIKeyZTHJQPDBCWHHEK-UHFFFAOYSA-N
XLogP2.12
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 107522507
N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106037010
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-sulfonamide
CID 106048012
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069006
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide
CID 102506391
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (CID 106031218) is N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)o1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is ZTHJQPDBCWHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10-14(8-13(20-10)9-15-2)21(17,18)16-11-4-6-12(19-3)7-5-11/h4-8,15-16H,9H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106031218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).