3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide

C14H18N2O3S — CID 43535569

IUPAC3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NC(C)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-9-6-7-12(15)10(2)14(9)20(17,18)16-11(3)13-5-4-8-19-13/h4-8,11,16H,15H2,1-3H3
InChIKeySUFJKEABNFYNAV-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide

3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 43535569) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
PubChem CID43535569
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NC(C)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-9-6-7-12(15)10(2)14(9)20(17,18)16-11(3)13-5-4-8-19-13/h4-8,11,16H,15H2,1-3H3
InChIKeySUFJKEABNFYNAV-UHFFFAOYSA-N
XLogP2.52
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110731612
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239
5-amino-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
3-amino-2,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64630177
3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 93081295
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947212
6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864030
methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748041

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide (CID 43535569) is 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NC(C)c1ccco1.
What is the InChIKey of 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is SUFJKEABNFYNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-6-7-12(15)10(2)14(9)20(17,18)16-11(3)13-5-4-8-19-13/h4-8,11,16H,15H2,1-3H3.
What are the key properties of 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide?
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43535569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).