N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide

C13H16N2O3S — CID 43744046

IUPACN-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1ccc(CNc2ccccc2NS(C)(=O)=O)o1
InChIInChI=1S/C13H16N2O3S/c1-10-7-8-11(18-10)9-14-12-5-3-4-6-13(12)15-19(2,16)17/h3-8,14-15H,9H2,1-2H3
InChIKeyJJIZECREMJIXJA-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.57
Rot. Bonds5

About N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide

N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 43744046) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID43744046
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1ccc(CNc2ccccc2NS(C)(=O)=O)o1
InChIInChI=1S/C13H16N2O3S/c1-10-7-8-11(18-10)9-14-12-5-3-4-6-13(12)15-19(2,16)17/h3-8,14-15H,9H2,1-2H3
InChIKeyJJIZECREMJIXJA-UHFFFAOYSA-N
XLogP2.57
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28978222
N-[(5-methylfuran-2-yl)methyl]-2-nitroaniline
CID 14182881
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204687
N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
CID 43744105
N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 43743995
N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
CID 61324135
N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
CID 62759740
2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28623990
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-nitroaniline
CID 43719615
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide (CID 43744046) is N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide is Cc1ccc(CNc2ccccc2NS(C)(=O)=O)o1.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is JJIZECREMJIXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-7-8-11(18-10)9-14-12-5-3-4-6-13(12)15-19(2,16)17/h3-8,14-15H,9H2,1-2H3.
What are the key properties of N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide?
N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43744046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).