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

C20H18ClN3O5S — CID 30161951

IUPAC4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ncccc3O)ccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O5S/c1-2-29-15-8-6-14(7-9-15)24-30(27,28)18-12-13(5-10-16(18)21)20(26)23-19-17(25)4-3-11-22-19/h3-12,24-25H,2H2,1H3,(H,22,23,26)
InChIKeyKIFQLQWOXNUWKV-UHFFFAOYSA-N
MW447.90 g/mol
LogP3.89
Rot. Bonds7

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

4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide (PubChem CID 30161951) has the molecular formula C20H18ClN3O5S and a molecular weight of 447.90 g/mol. Its IUPAC name is 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
PubChem CID30161951
Molecular FormulaC20H18ClN3O5S
Molecular Weight447.90 g/mol
Exact Mass447.07
IUPAC Name4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ncccc3O)ccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O5S/c1-2-29-15-8-6-14(7-9-15)24-30(27,28)18-12-13(5-10-16(18)21)20(26)23-19-17(25)4-3-11-22-19/h3-12,24-25H,2H2,1H3,(H,22,23,26)
InChIKeyKIFQLQWOXNUWKV-UHFFFAOYSA-N
XLogP3.89
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30295727
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24539573
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30584497
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30830270
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875
4-chloro-3-(cyclopropylsulfamoyl)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109619
4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 30390620

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide (CID 30161951) is 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ncccc3O)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide?
The InChIKey is KIFQLQWOXNUWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O5S/c1-2-29-15-8-6-14(7-9-15)24-30(27,28)18-12-13(5-10-16(18)21)20(26)23-19-17(25)4-3-11-22-19/h3-12,24-25H,2H2,1H3,(H,22,23,26).
What are the key properties of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide?
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide has a molecular weight of 447.90 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide is sourced from PubChem (CID 30161951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).