N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide

C15H20N2O3S — CID 56824135

IUPACN-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NCc2ccc(C)o2)c1
InChIInChI=1S/C15H20N2O3S/c1-11-7-8-14(20-11)10-17-12(2)13-5-4-6-15(9-13)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3
InChIKeyLSJULEAXTBGBSU-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.35
Rot. Bonds6

About N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide

N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 56824135) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID56824135
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NCc2ccc(C)o2)c1
InChIInChI=1S/C15H20N2O3S/c1-11-7-8-14(20-11)10-17-12(2)13-5-4-6-15(9-13)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3
InChIKeyLSJULEAXTBGBSU-UHFFFAOYSA-N
XLogP2.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide (CID 56824135) is N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide is CNS(=O)(=O)c1cccc(C(C)NCc2ccc(C)o2)c1.
What is the InChIKey of N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is LSJULEAXTBGBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-7-8-14(20-11)10-17-12(2)13-5-4-6-15(9-13)21(18,19)16-3/h4-9,12,16-17H,10H2,1-3H3.
What are the key properties of N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide?
N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 56824135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).