2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide

C17H20ClN3O3S — CID 51286285

IUPAC2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)n1
InChIInChI=1S/C17H20ClN3O3S/c1-11(2)21(4)25(23,24)13-8-9-15(18)14(10-13)17(22)20-16-7-5-6-12(3)19-16/h5-11H,1-4H3,(H,19,20,22)
InChIKeyNOCURQDSOPYNBD-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.32
Rot. Bonds5

About 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide

2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 51286285) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID51286285
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)n1
InChIInChI=1S/C17H20ClN3O3S/c1-11(2)21(4)25(23,24)13-8-9-15(18)14(10-13)17(22)20-16-7-5-6-12(3)19-16/h5-11H,1-4H3,(H,19,20,22)
InChIKeyNOCURQDSOPYNBD-UHFFFAOYSA-N
XLogP3.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4,6-dimethyl-2-pyridinyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 75469577
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
CID 1347930
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide
CID 78885098
2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55887552
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 55335471
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55332147
2-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35852240
2-chloro-N-(3-methyl-1-phenylbutyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55371507
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 90303117
4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide (CID 51286285) is 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)n1.
What is the InChIKey of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is NOCURQDSOPYNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-11(2)21(4)25(23,24)13-8-9-15(18)14(10-13)17(22)20-16-7-5-6-12(3)19-16/h5-11H,1-4H3,(H,19,20,22).
What are the key properties of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 381.89 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 51286285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).