4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

C21H21N3O4S — CID 18106832

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cn3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-3-28-18-9-7-17(8-10-18)24-29(26,27)19-11-5-16(6-12-19)21(25)23-20-13-4-15(2)14-22-20/h4-14,24H,3H2,1-2H3,(H,22,23,25)
InChIKeyYIVLWTXTVPAWBM-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.84
Rot. Bonds7

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 18106832) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID18106832
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cn3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-3-28-18-9-7-17(8-10-18)24-29(26,27)19-11-5-16(6-12-19)21(25)23-20-13-4-15(2)14-22-20/h4-14,24H,3H2,1-2H3,(H,22,23,25)
InChIKeyYIVLWTXTVPAWBM-UHFFFAOYSA-N
XLogP3.84
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35025590
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
4-(ethylsulfamoyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 35026598
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-[4-[[(6-methylpyridine-3-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 30291015
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (CID 18106832) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cn3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is YIVLWTXTVPAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-28-18-9-7-17(8-10-18)24-29(26,27)19-11-5-16(6-12-19)21(25)23-20-13-4-15(2)14-22-20/h4-14,24H,3H2,1-2H3,(H,22,23,25).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.84, 7 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-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 18106832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).