N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide

C14H18N2O3S — CID 62631438

IUPACN-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide
SMILESCCC(Nc1cccc(NS(C)(=O)=O)c1)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-3-13(14-8-5-9-19-14)15-11-6-4-7-12(10-11)16-20(2,17)18/h4-10,13,15-16H,3H2,1-2H3
InChIKeyNZSOZKSQWXXNAR-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.21
Rot. Bonds6

About N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide

N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide (PubChem CID 62631438) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide
PubChem CID62631438
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide
SMILESCCC(Nc1cccc(NS(C)(=O)=O)c1)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-3-13(14-8-5-9-19-14)15-11-6-4-7-12(10-11)16-20(2,17)18/h4-10,13,15-16H,3H2,1-2H3
InChIKeyNZSOZKSQWXXNAR-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62634130
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
methyl 3-[1-(furan-2-yl)propylamino]benzoate
CID 62632863
4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
CID 62631473
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
CID 78868922
N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62633991
N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide
CID 37329690
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide (CID 62631438) is N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide is CCC(Nc1cccc(NS(C)(=O)=O)c1)c1ccco1.
What is the InChIKey of N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide?
The InChIKey is NZSOZKSQWXXNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-13(14-8-5-9-19-14)15-11-6-4-7-12(10-11)16-20(2,17)18/h4-10,13,15-16H,3H2,1-2H3.
What are the key properties of N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide?
N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 62631438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).