4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline

C17H15NO3S — CID 732215

IUPAC4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline
SMILESO=S(=O)(c1ccccc1)c1ccc(NCc2ccco2)cc1
InChIInChI=1S/C17H15NO3S/c19-22(20,16-6-2-1-3-7-16)17-10-8-14(9-11-17)18-13-15-5-4-12-21-15/h1-12,18H,13H2
InChIKeyMUDQOYDXSZEKNB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.72
Rot. Bonds5

About 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline

4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline (PubChem CID 732215) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline
PubChem CID732215
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline
SMILESO=S(=O)(c1ccccc1)c1ccc(NCc2ccco2)cc1
InChIInChI=1S/C17H15NO3S/c19-22(20,16-6-2-1-3-7-16)17-10-8-14(9-11-17)18-13-15-5-4-12-21-15/h1-12,18H,13H2
InChIKeyMUDQOYDXSZEKNB-UHFFFAOYSA-N
XLogP3.72
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline (CID 732215) is 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline is O=S(=O)(c1ccccc1)c1ccc(NCc2ccco2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline?
The InChIKey is MUDQOYDXSZEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-22(20,16-6-2-1-3-7-16)17-10-8-14(9-11-17)18-13-15-5-4-12-21-15/h1-12,18H,13H2.
What are the key properties of 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline?
4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline has a molecular weight of 313.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 732215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).