4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

C16H18N2O3S — CID 788808

IUPAC4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-10-8-11(2)15(12(3)9-10)22(20,21)18-14-6-4-13(5-7-14)16(17)19/h4-9,18H,1-3H3,(H2,17,19)
InChIKeyDEJQBZNPWCPYNA-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.51
Rot. Bonds4

About 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 788808) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
PubChem CID788808
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-10-8-11(2)15(12(3)9-10)22(20,21)18-14-6-4-13(5-7-14)16(17)19/h4-9,18H,1-3H3,(H2,17,19)
InChIKeyDEJQBZNPWCPYNA-UHFFFAOYSA-N
XLogP2.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfabenzamide
CID 5319
N-(4-acetylphenyl)-4-methylbenzene-1-sulfonamide
CID 563797
N-Sulfanilyl-3,4-xylamide
CID 67118
4'-(4-Aminobenzoyl)biphenyl-4-Sulfonamide
CID 91995964
2-Azanyl-5-Phenyl-3-(4-Sulfamoylphenyl)benzamide
CID 16048085
4-Benzenesulfonylamino-N-hydroxy-benzamide
CID 44328873
N-(4-Acetylphenyl)-4-tert-butylbenzenesulfonamide
CID 583674
N-(4-acetylphenyl)benzenesulfonamide
CID 682447
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
N-(4-benzoylphenyl)ethanesulfonamide
CID 837238
N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 795024
4-acetyl-N-phenylbenzenesulfonamide
CID 7022526

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (CID 788808) is 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(C)c1.
What is the InChIKey of 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is DEJQBZNPWCPYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-8-11(2)15(12(3)9-10)22(20,21)18-14-6-4-13(5-7-14)16(17)19/h4-9,18H,1-3H3,(H2,17,19).
What are the key properties of 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 788808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).