[4-(aminomethyl)phenyl]methanesulfonamide

C8H12N2O2S — CID 9167228

IUPAC[4-(aminomethyl)phenyl]methanesulfonamide
SMILESNCc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C8H12N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKeyNBYQWCMTKNOMBS-UHFFFAOYSA-N
MW200.26 g/mol
LogP-0.07
Rot. Bonds3

About [4-(aminomethyl)phenyl]methanesulfonamide

[4-(aminomethyl)phenyl]methanesulfonamide (PubChem CID 9167228) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]methanesulfonamide
PubChem CID9167228
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name[4-(aminomethyl)phenyl]methanesulfonamide
SMILESNCc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C8H12N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKeyNBYQWCMTKNOMBS-UHFFFAOYSA-N
XLogP-0.07
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]methanesulfonamide?
The IUPAC name of [4-(aminomethyl)phenyl]methanesulfonamide (CID 9167228) is [4-(aminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(aminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for [4-(aminomethyl)phenyl]methanesulfonamide is NCc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]methanesulfonamide?
The InChIKey is NBYQWCMTKNOMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12).
What are the key properties of [4-(aminomethyl)phenyl]methanesulfonamide?
[4-(aminomethyl)phenyl]methanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 9167228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).