4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide

C14H18N2O3S — CID 62631473

IUPAC4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
SMILESCCC(Nc1ccc(S(=O)(=O)NC)cc1)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-3-13(14-5-4-10-19-14)16-11-6-8-12(9-7-11)20(17,18)15-2/h4-10,13,15-16H,3H2,1-2H3
InChIKeyGFMNDEJHWWLHMU-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.75
Rot. Bonds6

About 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide

4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide (PubChem CID 62631473) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
PubChem CID62631473
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
SMILESCCC(Nc1ccc(S(=O)(=O)NC)cc1)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-3-13(14-5-4-10-19-14)16-11-6-8-12(9-7-11)20(17,18)15-2/h4-10,13,15-16H,3H2,1-2H3
InChIKeyGFMNDEJHWWLHMU-UHFFFAOYSA-N
XLogP2.75
TPSA71.34 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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
3-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62634130
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62633253
N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide
CID 62631438
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723
4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide
CID 63183034
2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile
CID 62632335
N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43742528
N-cyclopropyl-4-[1-(furan-2-yl)propylamino]benzamide
CID 62631452
N-[1-(furan-2-yl)propyl]-4-(2,2,2-trifluoroethoxy)aniline
CID 62633976
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide (CID 62631473) is 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide is CCC(Nc1ccc(S(=O)(=O)NC)cc1)c1ccco1.
What is the InChIKey of 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide?
The InChIKey is GFMNDEJHWWLHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-13(14-5-4-10-19-14)16-11-6-8-12(9-7-11)20(17,18)15-2/h4-10,13,15-16H,3H2,1-2H3.
What are the key properties of 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide?
4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 62631473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).