3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide

C14H18N2O3S — CID 61423669

IUPAC3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C14H18N2O3S/c1-2-16(11-13-6-4-8-19-13)20(17,18)14-7-3-5-12(9-14)10-15/h3-9H,2,10-11,15H2,1H3
InChIKeyJPMBAUFRCZJEPX-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.95
Rot. Bonds6

About 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide

3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 61423669) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID61423669
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C14H18N2O3S/c1-2-16(11-13-6-4-8-19-13)20(17,18)14-7-3-5-12(9-14)10-15/h3-9H,2,10-11,15H2,1H3
InChIKeyJPMBAUFRCZJEPX-UHFFFAOYSA-N
XLogP1.95
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606165
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
CID 61105127
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 116529898

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide (CID 61423669) is 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is JPMBAUFRCZJEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-16(11-13-6-4-8-19-13)20(17,18)14-7-3-5-12(9-14)10-15/h3-9H,2,10-11,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide?
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61423669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).