N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide

C14H18N2O3S2 — CID 43792036

IUPACN-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1ccc(CSC)o1
InChIInChI=1S/C14H18N2O3S2/c1-15-21(17,18)14-6-4-3-5-13(14)16-9-11-7-8-12(19-11)10-20-2/h3-8,15-16H,9-10H2,1-2H3
InChIKeyPWJDQOUNSAVBAZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.66
Rot. Bonds7

About N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide

N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide (PubChem CID 43792036) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide
PubChem CID43792036
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1ccc(CSC)o1
InChIInChI=1S/C14H18N2O3S2/c1-15-21(17,18)14-6-4-3-5-13(14)16-9-11-7-8-12(19-11)10-20-2/h3-8,15-16H,9-10H2,1-2H3
InChIKeyPWJDQOUNSAVBAZ-UHFFFAOYSA-N
XLogP2.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide (CID 43792036) is N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1ccc(CSC)o1.
What is the InChIKey of N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide?
The InChIKey is PWJDQOUNSAVBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-15-21(17,18)14-6-4-3-5-13(14)16-9-11-7-8-12(19-11)10-20-2/h3-8,15-16H,9-10H2,1-2H3.
What are the key properties of N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide?
N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide is sourced from PubChem (CID 43792036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).