N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide

C15H14N2O3S — CID 155551049

IUPACN-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C15H14N2O3S/c16-10-11-4-3-6-13(8-11)17-21(18,19)15-9-12-5-1-2-7-14(12)20-15/h1-9,17H,10,16H2
InChIKeySIALAGHLVPDKFY-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.69
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide

N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 155551049) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide
PubChem CID155551049
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C15H14N2O3S/c16-10-11-4-3-6-13(8-11)17-21(18,19)15-9-12-5-1-2-7-14(12)20-15/h1-9,17H,10,16H2
InChIKeySIALAGHLVPDKFY-UHFFFAOYSA-N
XLogP2.69
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide (CID 155551049) is N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide is NCc1cccc(NS(=O)(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is SIALAGHLVPDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-10-11-4-3-6-13(8-11)17-21(18,19)15-9-12-5-1-2-7-14(12)20-15/h1-9,17H,10,16H2.
What are the key properties of N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide?
N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 155551049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).