2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide

C20H17Cl2N3O3S — CID 35030055

IUPAC2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc2Cl)c1
InChIInChI=1S/C20H17Cl2N3O3S/c1-12-7-8-23-19(9-12)24-20(26)16-11-15(5-6-17(16)21)29(27,28)25-14-4-3-13(2)18(22)10-14/h3-11,25H,1-2H3,(H,23,24,26)
InChIKeyLUDVVPLOZHGNTL-UHFFFAOYSA-N
MW450.35 g/mol
LogP5.06
Rot. Bonds5

About 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide

2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 35030055) has the molecular formula C20H17Cl2N3O3S and a molecular weight of 450.35 g/mol. Its IUPAC name is 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID35030055
Molecular FormulaC20H17Cl2N3O3S
Molecular Weight450.35 g/mol
Exact Mass449.04
IUPAC Name2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc2Cl)c1
InChIInChI=1S/C20H17Cl2N3O3S/c1-12-7-8-23-19(9-12)24-20(26)16-11-15(5-6-17(16)21)29(27,28)25-14-4-3-13(2)18(22)10-14/h3-11,25H,1-2H3,(H,23,24,26)
InChIKeyLUDVVPLOZHGNTL-UHFFFAOYSA-N
XLogP5.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.35
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 46651612
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
5-(benzylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 25163680
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
2,4-dichloro-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
CID 19577340
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide
CID 24660340
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
methyl 2-bromo-5-[(3-chloro-4-methylphenyl)sulfamoyl]benzoate
CID 55925238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide (CID 35030055) is 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is LUDVVPLOZHGNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3S/c1-12-7-8-23-19(9-12)24-20(26)16-11-15(5-6-17(16)21)29(27,28)25-14-4-3-13(2)18(22)10-14/h3-11,25H,1-2H3,(H,23,24,26).
What are the key properties of 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 450.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35030055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).