5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide

C14H18N2O3S — CID 107536071

IUPAC5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C14H18N2O3S/c1-3-11-6-4-5-7-13(11)16-20(17,18)14-8-12(9-15)19-10(14)2/h4-8,16H,3,9,15H2,1-2H3
InChIKeyHDFDQBQLQOGQIK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.41
Rot. Bonds5

About 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide

5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide (PubChem CID 107536071) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
PubChem CID107536071
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C14H18N2O3S/c1-3-11-6-4-5-7-13(11)16-20(17,18)14-8-12(9-15)19-10(14)2/h4-8,16H,3,9,15H2,1-2H3
InChIKeyHDFDQBQLQOGQIK-UHFFFAOYSA-N
XLogP2.41
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 107522507
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
CID 106006619
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)furan-3-sulfonamide
CID 106086878
5-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106070672
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-sulfonamide
CID 106089733
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
5-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106064455
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide
CID 106072933

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide (CID 107536071) is 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cc(CN)oc1C.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide?
The InChIKey is HDFDQBQLQOGQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-11-6-4-5-7-13(11)16-20(17,18)14-8-12(9-15)19-10(14)2/h4-8,16H,3,9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 107536071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).