N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide

C17H20N2O3S — CID 2187295

IUPACN-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-8-10-16(11-9-14)23(21,22)19-13-5-12-18-17(20)15-6-3-2-4-7-15/h2-4,6-11,19H,5,12-13H2,1H3,(H,18,20)
InChIKeyCLPQLFVBEKJILT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.09
Rot. Bonds7

About N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide

N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide (PubChem CID 2187295) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide
PubChem CID2187295
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-8-10-16(11-9-14)23(21,22)19-13-5-12-18-17(20)15-6-3-2-4-7-15/h2-4,6-11,19H,5,12-13H2,1H3,(H,18,20)
InChIKeyCLPQLFVBEKJILT-UHFFFAOYSA-N
XLogP2.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide?
The IUPAC name of N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide (CID 2187295) is N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide?
The canonical SMILES for N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide is Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide?
The InChIKey is CLPQLFVBEKJILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-8-10-16(11-9-14)23(21,22)19-13-5-12-18-17(20)15-6-3-2-4-7-15/h2-4,6-11,19H,5,12-13H2,1H3,(H,18,20).
What are the key properties of N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide?
N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide is sourced from PubChem (CID 2187295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).