2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

C12H14N4O3S — CID 66606479

IUPAC2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1c(C(=O)Nc2ncnn2C)cccc1S(C)(=O)=O
InChIInChI=1S/C12H14N4O3S/c1-8-9(5-4-6-10(8)20(3,18)19)11(17)15-12-13-7-14-16(12)2/h4-7H,1-3H3,(H,13,14,15,17)
InChIKeyYLESSNCNOCDTRB-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.78
Rot. Bonds3

About 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 66606479) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID66606479
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1c(C(=O)Nc2ncnn2C)cccc1S(C)(=O)=O
InChIInChI=1S/C12H14N4O3S/c1-8-9(5-4-6-10(8)20(3,18)19)11(17)15-12-13-7-14-16(12)2/h4-7H,1-3H3,(H,13,14,15,17)
InChIKeyYLESSNCNOCDTRB-UHFFFAOYSA-N
XLogP0.78
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 112576091
2-chloro-4-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylsulfinylbenzamide
CID 176825744
3-(ethylamino)-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
CID 115549338
3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
CID 115549707
N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 119096873
2-methyl-N-(2-methyl-1,2,4-triazol-3-yl)cinnolin-2-ium-4-carboxamide
CID 154679292
2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)quinoline-4-carboxamide
CID 80709861
4-hydroxy-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 113357521
1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 130667068
5-bromo-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 80709517
(4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide
CID 118443393
N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
CID 80709605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 66606479) is 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cc1c(C(=O)Nc2ncnn2C)cccc1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is YLESSNCNOCDTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-9(5-4-6-10(8)20(3,18)19)11(17)15-12-13-7-14-16(12)2/h4-7H,1-3H3,(H,13,14,15,17).
What are the key properties of 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 294.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 66606479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).