2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide

C14H15N3O3S — CID 91642997

IUPAC2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccnc(C)n1
InChIInChI=1S/C14H15N3O3S/c1-3-21(19,20)12-7-5-4-6-11(12)14(18)17-13-8-9-15-10(2)16-13/h4-9H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyFOTVEMOIJYLEFP-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.83
Rot. Bonds4

About 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide

2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide (PubChem CID 91642997) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide
PubChem CID91642997
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccnc(C)n1
InChIInChI=1S/C14H15N3O3S/c1-3-21(19,20)12-7-5-4-6-11(12)14(18)17-13-8-9-15-10(2)16-13/h4-9H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyFOTVEMOIJYLEFP-UHFFFAOYSA-N
XLogP1.83
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide
CID 154748748
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24621136
2-(3-methylbutylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 27161275
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
CID 60537589
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7578603
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 51102554

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide (CID 91642997) is 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1ccnc(C)n1.
What is the InChIKey of 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide?
The InChIKey is FOTVEMOIJYLEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-21(19,20)12-7-5-4-6-11(12)14(18)17-13-8-9-15-10(2)16-13/h4-9H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide?
2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 91642997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).