3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide

C15H20N2O3S — CID 61105127

IUPAC3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C15H20N2O3S/c1-4-17(10-13-6-5-9-20-13)21(18,19)15-11(2)7-8-14(16)12(15)3/h5-9H,4,10,16H2,1-3H3
InChIKeyGZYVGRWMKAUEMM-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.69
Rot. Bonds5

About 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 61105127) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
PubChem CID61105127
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C15H20N2O3S/c1-4-17(10-13-6-5-9-20-13)21(18,19)15-11(2)7-8-14(16)12(15)3/h5-9H,4,10,16H2,1-3H3
InChIKeyGZYVGRWMKAUEMM-UHFFFAOYSA-N
XLogP2.69
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
3-amino-N-(2-cyanoethyl)-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 61138899
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 116529898
6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
CID 54880006
N-ethyl-2-(ethylamino)-N-(furan-2-ylmethyl)ethanesulfonamide
CID 54972545

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide (CID 61105127) is 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1c(C)ccc(N)c1C.
What is the InChIKey of 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is GZYVGRWMKAUEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-17(10-13-6-5-9-20-13)21(18,19)15-11(2)7-8-14(16)12(15)3/h5-9H,4,10,16H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 61105127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).