4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide

C18H22N2O3S — CID 4780275

IUPAC4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C18H22N2O3S/c1-11-9-12(2)14(4)17(13(11)3)24(22,23)20-10-15-5-7-16(8-6-15)18(19)21/h5-9,20H,10H2,1-4H3,(H2,19,21)
InChIKeyRRCIOFQXNVEGHW-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.50
Rot. Bonds5

About 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide

4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide (PubChem CID 4780275) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide
PubChem CID4780275
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(N)=O)cc2)c1C
InChIInChI=1S/C18H22N2O3S/c1-11-9-12(2)14(4)17(13(11)3)24(22,23)20-10-15-5-7-16(8-6-15)18(19)21/h5-9,20H,10H2,1-4H3,(H2,19,21)
InChIKeyRRCIOFQXNVEGHW-UHFFFAOYSA-N
XLogP2.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide (CID 4780275) is 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(N)=O)cc2)c1C.
What is the InChIKey of 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is RRCIOFQXNVEGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11-9-12(2)14(4)17(13(11)3)24(22,23)20-10-15-5-7-16(8-6-15)18(19)21/h5-9,20H,10H2,1-4H3,(H2,19,21).
What are the key properties of 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide?
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 4780275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).