3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide

C12H14N2O3S — CID 54867068

IUPAC3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
SMILESCc1c(NCc2ccco2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H14N2O3S/c1-9-11(14-8-10-4-3-7-17-10)5-2-6-12(9)18(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
InChIKeyRKHAJAJDQGLPMO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.85
Rot. Bonds4

About 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide

3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide (PubChem CID 54867068) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
PubChem CID54867068
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
SMILESCc1c(NCc2ccco2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H14N2O3S/c1-9-11(14-8-10-4-3-7-17-10)5-2-6-12(9)18(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
InChIKeyRKHAJAJDQGLPMO-UHFFFAOYSA-N
XLogP1.85
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide 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

4-(furan-2-ylmethylamino)pyridine-3-sulfonamide
CID 171984499
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
1-N-(furan-2-ylmethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382625
CID 68522905
CID 68522905
N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427556
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
sodium 2-(furan-2-ylmethylamino)-4-propylsulfonyl-5-sulfamoylbenzenesulfonate
CID 23722348
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide?
The IUPAC name of 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide (CID 54867068) is 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide is Cc1c(NCc2ccco2)cccc1S(N)(=O)=O.
What is the InChIKey of 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide?
The InChIKey is RKHAJAJDQGLPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-11(14-8-10-4-3-7-17-10)5-2-6-12(9)18(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16).
What are the key properties of 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide?
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 54867068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).