2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide

C14H17N3O4S — CID 47052132

IUPAC2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H17N3O4S/c1-9-13(10(2)17(3)15-9)22(19,20)16-14(18)11-7-5-6-8-12(11)21-4/h5-8H,1-4H3,(H,16,18)
InChIKeyVFGMYWKNVJVVJI-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.16
Rot. Bonds4

About 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide

2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide (PubChem CID 47052132) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
PubChem CID47052132
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H17N3O4S/c1-9-13(10(2)17(3)15-9)22(19,20)16-14(18)11-7-5-6-8-12(11)21-4/h5-8H,1-4H3,(H,16,18)
InChIKeyVFGMYWKNVJVVJI-UHFFFAOYSA-N
XLogP1.16
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078819
4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310200
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 95898801
4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 45291030
4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
CID 138993042
N-(5-methoxy-1,3-dimethylpyrazol-4-yl)sulfonyl-2-propylfuran-3-carboxamide
CID 100694319
2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
CID 174958314
3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823122
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 47070256
2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822975
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 90613554

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide (CID 47052132) is 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide is COc1ccccc1C(=O)NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide?
The InChIKey is VFGMYWKNVJVVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9-13(10(2)17(3)15-9)22(19,20)16-14(18)11-7-5-6-8-12(11)21-4/h5-8H,1-4H3,(H,16,18).
What are the key properties of 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide?
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide has a molecular weight of 323.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide is sourced from PubChem (CID 47052132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).