3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide

C24H20N2O3S — CID 9412821

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C24H20N2O3S/c1-17-9-13-23(14-10-17)30(28,29)26-22-8-4-7-20(16-22)24(27)25-21-12-11-18-5-2-3-6-19(18)15-21/h2-16,26H,1H3,(H,25,27)
InChIKeyGEPWCJMQPOLMBC-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.20
Rot. Bonds5

About 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide

3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide (PubChem CID 9412821) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
PubChem CID9412821
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C24H20N2O3S/c1-17-9-13-23(14-10-17)30(28,29)26-22-8-4-7-20(16-22)24(27)25-21-12-11-18-5-2-3-6-19(18)15-21/h2-16,26H,1H3,(H,25,27)
InChIKeyGEPWCJMQPOLMBC-UHFFFAOYSA-N
XLogP5.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 16803037
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 92505181
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide (CID 9412821) is 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide?
The InChIKey is GEPWCJMQPOLMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-17-9-13-23(14-10-17)30(28,29)26-22-8-4-7-20(16-22)24(27)25-21-12-11-18-5-2-3-6-19(18)15-21/h2-16,26H,1H3,(H,25,27).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide?
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide has a molecular weight of 416.50 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 9412821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).