2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide

C12H14N2O3S — CID 16781445

IUPAC2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H14N2O3S/c13-8-10-4-1-2-6-12(10)18(15,16)14-9-11-5-3-7-17-11/h1-7,14H,8-9,13H2
InChIKeyQAJPZLVCRSDDTA-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.22
Rot. Bonds5

About 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide

2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 16781445) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID16781445
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H14N2O3S/c13-8-10-4-1-2-6-12(10)18(15,16)14-9-11-5-3-7-17-11/h1-7,14H,8-9,13H2
InChIKeyQAJPZLVCRSDDTA-UHFFFAOYSA-N
XLogP1.22
TPSA85.33 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62846126
5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28718585
2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 54886109
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104759943

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 16781445) is 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is NCc1ccccc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is QAJPZLVCRSDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-8-10-4-1-2-6-12(10)18(15,16)14-9-11-5-3-7-17-11/h1-7,14H,8-9,13H2.
What are the key properties of 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 16781445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).