1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride

C8H13ClN2O2S — CID 14234262

IUPAC1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCNS(=O)(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-10-13(11,12)6-7-2-4-8(9)5-3-7;/h2-5,10H,6,9H2,1H3;1H
InChIKeyVKLYKCNYIYHJEY-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.74
Rot. Bonds3

About 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride

1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride (PubChem CID 14234262) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride
PubChem CID14234262
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCNS(=O)(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-10-13(11,12)6-7-2-4-8(9)5-3-7;/h2-5,10H,6,9H2,1H3;1H
InChIKeyVKLYKCNYIYHJEY-UHFFFAOYSA-N
XLogP0.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride (CID 14234262) is 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride is CNS(=O)(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is VKLYKCNYIYHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.ClH/c1-10-13(11,12)6-7-2-4-8(9)5-3-7;/h2-5,10H,6,9H2,1H3;1H.
What are the key properties of 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride?
1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 14234262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).