4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C21H21N3O4S — CID 18107656

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-2-28-19-7-5-18(6-8-19)24-29(26,27)20-9-3-17(4-10-20)21(25)23-15-16-11-13-22-14-12-16/h3-14,24H,2,15H2,1H3,(H,23,25)
InChIKeyOUKBINDBCUPLKM-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.21
Rot. Bonds8

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 18107656) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID18107656
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-2-28-19-7-5-18(6-8-19)24-29(26,27)20-9-3-17(4-10-20)21(25)23-15-16-11-13-22-14-12-16/h3-14,24H,2,15H2,1H3,(H,23,25)
InChIKeyOUKBINDBCUPLKM-UHFFFAOYSA-N
XLogP3.21
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
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4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carbonyl)-amino]-phenyl ester
CID 9977312
2-[(5-chloro-3-pyridinyl)oxy]-N-ethyl-5-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 12109366
4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
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3-((4-(Aminomethyl)pyridin-2-yl)oxy)-N-(4-methoxyphenyl)benzamide hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 18107656) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is OUKBINDBCUPLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-2-28-19-7-5-18(6-8-19)24-29(26,27)20-9-3-17(4-10-20)21(25)23-15-16-11-13-22-14-12-16/h3-14,24H,2,15H2,1H3,(H,23,25).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 18107656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).