N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide

C12H14N2O3S — CID 63204687

IUPACN-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NCc1ccoc1
InChIInChI=1S/C12H14N2O3S/c1-18(15,16)14-12-5-3-2-4-11(12)13-8-10-6-7-17-9-10/h2-7,9,13-14H,8H2,1H3
InChIKeyAYTXRCFUFLMHKF-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide

N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 63204687) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide
PubChem CID63204687
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NCc1ccoc1
InChIInChI=1S/C12H14N2O3S/c1-18(15,16)14-12-5-3-2-4-11(12)13-8-10-6-7-17-9-10/h2-7,9,13-14H,8H2,1H3
InChIKeyAYTXRCFUFLMHKF-UHFFFAOYSA-N
XLogP2.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide (CID 63204687) is N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1NCc1ccoc1.
What is the InChIKey of N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is AYTXRCFUFLMHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18(15,16)14-12-5-3-2-4-11(12)13-8-10-6-7-17-9-10/h2-7,9,13-14H,8H2,1H3.
What are the key properties of N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide?
N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 63204687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).