3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide

C12H12FN3O3S — CID 47271421

IUPAC3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2cnn(C)c2)cc1F
InChIInChI=1S/C12H12FN3O3S/c1-8-3-4-9(5-11(8)13)12(17)15-20(18,19)10-6-14-16(2)7-10/h3-7H,1-2H3,(H,15,17)
InChIKeyOSMATROBUNVTAN-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.99
Rot. Bonds3

About 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide

3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide (PubChem CID 47271421) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
PubChem CID47271421
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2cnn(C)c2)cc1F
InChIInChI=1S/C12H12FN3O3S/c1-8-3-4-9(5-11(8)13)12(17)15-20(18,19)10-6-14-16(2)7-10/h3-7H,1-2H3,(H,15,17)
InChIKeyOSMATROBUNVTAN-UHFFFAOYSA-N
XLogP0.99
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 5410782
2-[3-[[(1-Methylpyrazol-4-yl)sulfonylamino]methyl]phenyl]-3-phenylpropanamide
CID 56836596
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-sulfonamide
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4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide
CID 31846208
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 31853284
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide
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3-(3-fluorophenyl)-2-methyl-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
CID 53581736
1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide
CID 56823727
N-cyclopropyl-4-({[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}sulfonyl)benzamide
CID 70764346
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CID 70783230

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide (CID 47271421) is 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide is Cc1ccc(C(=O)NS(=O)(=O)c2cnn(C)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
The InChIKey is OSMATROBUNVTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-8-3-4-9(5-11(8)13)12(17)15-20(18,19)10-6-14-16(2)7-10/h3-7H,1-2H3,(H,15,17).
What are the key properties of 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide?
3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide has a molecular weight of 297.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(1-methylpyrazol-4-yl)sulfonylbenzamide is sourced from PubChem (CID 47271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).