2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide

C19H16ClN3OS — CID 30257491

IUPAC2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)n1
InChIInChI=1S/C19H16ClN3OS/c1-12-11-13(2)22-19(21-12)25-15-9-7-14(8-10-15)23-18(24)16-5-3-4-6-17(16)20/h3-11H,1-2H3,(H,23,24)
InChIKeyHLZICSFNMGNGGK-UHFFFAOYSA-N
MW369.88 g/mol
LogP5.15
Rot. Bonds4

About 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide

2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide (PubChem CID 30257491) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
PubChem CID30257491
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)n1
InChIInChI=1S/C19H16ClN3OS/c1-12-11-13(2)22-19(21-12)25-15-9-7-14(8-10-15)23-18(24)16-5-3-4-6-17(16)20/h3-11H,1-2H3,(H,23,24)
InChIKeyHLZICSFNMGNGGK-UHFFFAOYSA-N
XLogP5.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.88
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide
CID 24677220
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
1-(2,4-dichlorophenyl)-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]urea
CID 51031087
4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(dimethylsulfamoyl)benzamide
CID 24659613
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276811
2,2-dichloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 24677204
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633164
2-chloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 46268011
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 44522261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide (CID 30257491) is 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide is Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)n1.
What is the InChIKey of 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide?
The InChIKey is HLZICSFNMGNGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-12-11-13(2)22-19(21-12)25-15-9-7-14(8-10-15)23-18(24)16-5-3-4-6-17(16)20/h3-11H,1-2H3,(H,23,24).
What are the key properties of 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide?
2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide has a molecular weight of 369.88 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide is sourced from PubChem (CID 30257491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).