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

C14H18N2O3S — CID 43535591

IUPAC5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(C)c2ccco2)c1C
InChIInChI=1S/C14H18N2O3S/c1-9-7-12(15)8-14(10(9)2)20(17,18)16-11(3)13-5-4-6-19-13/h4-8,11,16H,15H2,1-3H3
InChIKeyNMTKKJRFFWFBKJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.52
Rot. Bonds4

About 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide

5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 43535591) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
PubChem CID43535591
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(C)c2ccco2)c1C
InChIInChI=1S/C14H18N2O3S/c1-9-7-12(15)8-14(10(9)2)20(17,18)16-11(3)13-5-4-6-19-13/h4-8,11,16H,15H2,1-3H3
InChIKeyNMTKKJRFFWFBKJ-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-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 43535569
5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
5-amino-3-[1-(furan-2-yl)ethylamino]-2-methylbenzenesulfonamide
CID 79895953
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 43535590
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 64898473
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide (CID 43535591) is 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC(C)c2ccco2)c1C.
What is the InChIKey of 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is NMTKKJRFFWFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-7-12(15)8-14(10(9)2)20(17,18)16-11(3)13-5-4-6-19-13/h4-8,11,16H,15H2,1-3H3.
What are the key properties of 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide?
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-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 5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43535591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).