4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide

C14H18N2O3S — CID 106996804

IUPAC4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C14H18N2O3S/c1-11-9-12(10-15)4-5-14(11)20(17,18)16-7-6-13-3-2-8-19-13/h2-5,8-9,16H,6-7,10,15H2,1H3
InChIKeyJYDZKMTYEZOMAB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.57
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide

4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 106996804) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID106996804
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C14H18N2O3S/c1-11-9-12(10-15)4-5-14(11)20(17,18)16-7-6-13-3-2-8-19-13/h2-5,8-9,16H,6-7,10,15H2,1H3
InChIKeyJYDZKMTYEZOMAB-UHFFFAOYSA-N
XLogP1.57
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
CID 61128180
4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804693
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
4-(aminomethyl)-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 106997056
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide (CID 106996804) is 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NCCc1ccco1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is JYDZKMTYEZOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-9-12(10-15)4-5-14(11)20(17,18)16-7-6-13-3-2-8-19-13/h2-5,8-9,16H,6-7,10,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).