N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide

C16H16N2O3S2 — CID 166521388

IUPACN-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide
SMILESCNCc1ccc(NS(=O)(=O)c2ccsc2)c(-c2ccco2)c1
InChIInChI=1S/C16H16N2O3S2/c1-17-10-12-4-5-15(14(9-12)16-3-2-7-21-16)18-23(19,20)13-6-8-22-11-13/h2-9,11,17-18H,10H2,1H3
InChIKeyZMQYWOAOAQBUAW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide

N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide (PubChem CID 166521388) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide
PubChem CID166521388
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide
SMILESCNCc1ccc(NS(=O)(=O)c2ccsc2)c(-c2ccco2)c1
InChIInChI=1S/C16H16N2O3S2/c1-17-10-12-4-5-15(14(9-12)16-3-2-7-21-16)18-23(19,20)13-6-8-22-11-13/h2-9,11,17-18H,10H2,1H3
InChIKeyZMQYWOAOAQBUAW-UHFFFAOYSA-N
XLogP3.53
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide (CID 166521388) is N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide is CNCc1ccc(NS(=O)(=O)c2ccsc2)c(-c2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide?
The InChIKey is ZMQYWOAOAQBUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-17-10-12-4-5-15(14(9-12)16-3-2-7-21-16)18-23(19,20)13-6-8-22-11-13/h2-9,11,17-18H,10H2,1H3.
What are the key properties of N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide?
N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-4-(methylaminomethyl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 166521388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).