N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C21H20Cl2N4O4S — CID 55722270

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCNc3ncc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C21H20Cl2N4O4S/c1-31-17-7-5-16(6-8-17)27-32(29,30)18-4-2-3-14(11-18)21(28)25-10-9-24-20-19(23)12-15(22)13-26-20/h2-8,11-13,27H,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyPVAWKDKSBHNFQB-UHFFFAOYSA-N
MW495.39 g/mol
LogP4.04
Rot. Bonds9

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 55722270) has the molecular formula C21H20Cl2N4O4S and a molecular weight of 495.39 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID55722270
Molecular FormulaC21H20Cl2N4O4S
Molecular Weight495.39 g/mol
Exact Mass494.06
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCNc3ncc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C21H20Cl2N4O4S/c1-31-17-7-5-16(6-8-17)27-32(29,30)18-4-2-3-14(11-18)21(28)25-10-9-24-20-19(23)12-15(22)13-26-20/h2-8,11-13,27H,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyPVAWKDKSBHNFQB-UHFFFAOYSA-N
XLogP4.04
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.39
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]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

3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 55722270) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCNc3ncc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is PVAWKDKSBHNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O4S/c1-31-17-7-5-16(6-8-17)27-32(29,30)18-4-2-3-14(11-18)21(28)25-10-9-24-20-19(23)12-15(22)13-26-20/h2-8,11-13,27H,9-10H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 495.39 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55722270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).