3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide

C21H21N3O4S — CID 35032875

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncccc3C)c2)cc1
InChIInChI=1S/C21H21N3O4S/c1-3-28-18-11-9-17(10-12-18)24-29(26,27)19-8-4-7-16(14-19)21(25)23-20-15(2)6-5-13-22-20/h4-14,24H,3H2,1-2H3,(H,22,23,25)
InChIKeyBHECELYVTRJCKL-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.84
Rot. Bonds7

About 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide

3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 35032875) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID35032875
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncccc3C)c2)cc1
InChIInChI=1S/C21H21N3O4S/c1-3-28-18-11-9-17(10-12-18)24-29(26,27)19-8-4-7-16(14-19)21(25)23-20-15(2)6-5-13-22-20/h4-14,24H,3H2,1-2H3,(H,22,23,25)
InChIKeyBHECELYVTRJCKL-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

3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 51547155
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
CID 35033473
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30161951
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide (CID 35032875) is 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncccc3C)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is BHECELYVTRJCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-28-18-11-9-17(10-12-18)24-29(26,27)19-8-4-7-16(14-19)21(25)23-20-15(2)6-5-13-22-20/h4-14,24H,3H2,1-2H3,(H,22,23,25).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-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 3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35032875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).