N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide

C18H22N2O3S — CID 1266725

IUPACN,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-20(5-2)18(21)16-8-6-7-9-17(16)19-24(22,23)15-12-10-14(3)11-13-15/h6-13,19H,4-5H2,1-3H3
InChIKeyOESFDXLVWKLQPD-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.28
Rot. Bonds6

About N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide

N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 1266725) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID1266725
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-20(5-2)18(21)16-8-6-7-9-17(16)19-24(22,23)15-12-10-14(3)11-13-15/h6-13,19H,4-5H2,1-3H3
InChIKeyOESFDXLVWKLQPD-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 1266725) is N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide is CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is OESFDXLVWKLQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-20(5-2)18(21)16-8-6-7-9-17(16)19-24(22,23)15-12-10-14(3)11-13-15/h6-13,19H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 1266725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).