4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide

C18H17FN4O3S — CID 45494151

IUPAC4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H17FN4O3S/c1-11-17(12(2)23(21-11)16-9-5-14(19)6-10-16)27(25,26)22-15-7-3-13(4-8-15)18(20)24/h3-10,22H,1-2H3,(H2,20,24)
InChIKeyPOORZMLACTVMBM-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.53
Rot. Bonds5

About 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide

4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide (PubChem CID 45494151) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide
PubChem CID45494151
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H17FN4O3S/c1-11-17(12(2)23(21-11)16-9-5-14(19)6-10-16)27(25,26)22-15-7-3-13(4-8-15)18(20)24/h3-10,22H,1-2H3,(H2,20,24)
InChIKeyPOORZMLACTVMBM-UHFFFAOYSA-N
XLogP2.53
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide?
The IUPAC name of 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide (CID 45494151) is 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide?
The canonical SMILES for 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide is Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide?
The InChIKey is POORZMLACTVMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-11-17(12(2)23(21-11)16-9-5-14(19)6-10-16)27(25,26)22-15-7-3-13(4-8-15)18(20)24/h3-10,22H,1-2H3,(H2,20,24).
What are the key properties of 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide?
4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide has a molecular weight of 388.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzamide is sourced from PubChem (CID 45494151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).