3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

C17H15FN4O3S — CID 47835606

IUPAC3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccn[nH]3)c2)cc1F
InChIInChI=1S/C17H15FN4O3S/c1-11-5-6-14(10-15(11)18)26(24,25)22-13-4-2-3-12(9-13)17(23)20-16-7-8-19-21-16/h2-10,22H,1H3,(H2,19,20,21,23)
InChIKeyZSEHIYSIQAPLCV-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.91
Rot. Bonds5

About 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 47835606) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID47835606
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccn[nH]3)c2)cc1F
InChIInChI=1S/C17H15FN4O3S/c1-11-5-6-14(10-15(11)18)26(24,25)22-13-4-2-3-12(9-13)17(23)20-16-7-8-19-21-16/h2-10,22H,1H3,(H2,19,20,21,23)
InChIKeyZSEHIYSIQAPLCV-UHFFFAOYSA-N
XLogP2.91
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835624
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 34752536
N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 112770785
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33033434
N-(1,3-benzothiazol-2-yl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 35993607
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 60571257

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide (CID 47835606) is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccn[nH]3)c2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is ZSEHIYSIQAPLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-11-5-6-14(10-15(11)18)26(24,25)22-13-4-2-3-12(9-13)17(23)20-16-7-8-19-21-16/h2-10,22H,1H3,(H2,19,20,21,23).
What are the key properties of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide?
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 47835606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).