4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide

C16H18N2O3S — CID 41493280

IUPAC4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cccc(N(Cc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H18N2O3S/c1-12-4-3-5-15(10-12)18(22(2,20)21)11-13-6-8-14(9-7-13)16(17)19/h3-10H,11H2,1-2H3,(H2,17,19)
InChIKeyLOCSUXRDEWGQAP-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.06
Rot. Bonds5

About 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide

4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 41493280) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID41493280
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cccc(N(Cc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H18N2O3S/c1-12-4-3-5-15(10-12)18(22(2,20)21)11-13-6-8-14(9-7-13)16(17)19/h3-10H,11H2,1-2H3,(H2,17,19)
InChIKeyLOCSUXRDEWGQAP-UHFFFAOYSA-N
XLogP2.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide (CID 41493280) is 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide is Cc1cccc(N(Cc2ccc(C(N)=O)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is LOCSUXRDEWGQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-4-3-5-15(10-12)18(22(2,20)21)11-13-6-8-14(9-7-13)16(17)19/h3-10H,11H2,1-2H3,(H2,17,19).
What are the key properties of 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide?
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 41493280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).