4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

C22H23ClN4O4S — CID 30295727

IUPAC4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N(C)C)nc3)ccc2Cl)cc1
InChIInChI=1S/C22H23ClN4O4S/c1-4-31-18-9-6-16(7-10-18)26-32(29,30)20-13-15(5-11-19(20)23)22(28)25-17-8-12-21(24-14-17)27(2)3/h5-14,26H,4H2,1-3H3,(H,25,28)
InChIKeyOPKSGKNFVLEEMB-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.25
Rot. Bonds8

About 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 30295727) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID30295727
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC Name4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N(C)C)nc3)ccc2Cl)cc1
InChIInChI=1S/C22H23ClN4O4S/c1-4-31-18-9-6-16(7-10-18)26-32(29,30)20-13-15(5-11-19(20)23)22(28)25-17-8-12-21(24-14-17)27(2)3/h5-14,26H,4H2,1-3H3,(H,25,28)
InChIKeyOPKSGKNFVLEEMB-UHFFFAOYSA-N
XLogP4.25
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46462504
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30161951
N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295696
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24539573
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30830270
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30584497
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 30295727) is 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N(C)C)nc3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is OPKSGKNFVLEEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-4-31-18-9-6-16(7-10-18)26-32(29,30)20-13-15(5-11-19(20)23)22(28)25-17-8-12-21(24-14-17)27(2)3/h5-14,26H,4H2,1-3H3,(H,25,28).
What are the key properties of 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30295727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).