4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide

C22H21ClN2O4S — CID 25115150

IUPAC4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(-c2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C22H21ClN2O4S/c1-13-9-14(2)21(15(3)10-13)19-8-6-17(12-24-19)30(27,28)25-22(26)18-7-5-16(23)11-20(18)29-4/h5-12H,1-4H3,(H,25,26)
InChIKeyXWRDFOHRNBNOJQ-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.45
Rot. Bonds5

About 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide

4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide (PubChem CID 25115150) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide
PubChem CID25115150
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(-c2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C22H21ClN2O4S/c1-13-9-14(2)21(15(3)10-13)19-8-6-17(12-24-19)30(27,28)25-22(26)18-7-5-16(23)11-20(18)29-4/h5-12H,1-4H3,(H,25,26)
InChIKeyXWRDFOHRNBNOJQ-UHFFFAOYSA-N
XLogP4.45
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
propan-2-yl N-[4-[2-[(4-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
CID 70623670
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
CID 174958314
4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxybenzamide
CID 107867430
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 14870431
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,6-dimethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252901
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
CID 108572214
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
N-(1,3-benzodioxol-5-ylsulfonyl)-4-chloro-2-methylbenzamide
CID 10020985

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide (CID 25115150) is 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide is COc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(-c2c(C)cc(C)cc2C)nc1.
What is the InChIKey of 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide?
The InChIKey is XWRDFOHRNBNOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-13-9-14(2)21(15(3)10-13)19-8-6-17(12-24-19)30(27,28)25-22(26)18-7-5-16(23)11-20(18)29-4/h5-12H,1-4H3,(H,25,26).
What are the key properties of 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide?
4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide has a molecular weight of 444.94 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide is sourced from PubChem (CID 25115150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).