3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C19H19FN4O3S — CID 37242368

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H19FN4O3S/c1-12-18(13(2)24(3)22-12)21-19(25)14-7-6-8-15(11-14)28(26,27)23-17-10-5-4-9-16(17)20/h4-11,23H,1-3H3,(H,21,25)
InChIKeyJWZZCQOCJSLPGS-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.23
Rot. Bonds5

About 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 37242368) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID37242368
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H19FN4O3S/c1-12-18(13(2)24(3)22-12)21-19(25)14-7-6-8-15(11-14)28(26,27)23-17-10-5-4-9-16(17)20/h4-11,23H,1-3H3,(H,21,25)
InChIKeyJWZZCQOCJSLPGS-UHFFFAOYSA-N
XLogP3.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3862719
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
4-(dimethylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 894979
N-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
CID 1509168
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298781
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 2109137
(3,5-Dimethylpyrazol-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2130720
N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354077
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamide
CID 2812921
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 4290489
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895438

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 37242368) is 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is JWZZCQOCJSLPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-12-18(13(2)24(3)22-12)21-19(25)14-7-6-8-15(11-14)28(26,27)23-17-10-5-4-9-16(17)20/h4-11,23H,1-3H3,(H,21,25).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 37242368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).