4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

C12H14N2O3S — CID 43256936

IUPAC4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H14N2O3S/c1-9-7-10(13)4-5-12(9)18(15,16)14-8-11-3-2-6-17-11/h2-7,14H,8,13H2,1H3
InChIKeyDLZKRINXSJXJOO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.65
Rot. Bonds4

About 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (PubChem CID 43256936) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
PubChem CID43256936
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H14N2O3S/c1-9-7-10(13)4-5-12(9)18(15,16)14-8-11-3-2-6-17-11/h2-7,14H,8,13H2,1H3
InChIKeyDLZKRINXSJXJOO-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (CID 43256936) is 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The InChIKey is DLZKRINXSJXJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-7-10(13)4-5-12(9)18(15,16)14-8-11-3-2-6-17-11/h2-7,14H,8,13H2,1H3.
What are the key properties of 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43256936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).