4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide

C13H17FN4O2S — CID 82692799

IUPAC4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide
SMILESCCc1nn(-c2ccc(S(N)(=O)=O)cc2F)c(CC)c1N
InChIInChI=1S/C13H17FN4O2S/c1-3-10-13(15)11(4-2)18(17-10)12-6-5-8(7-9(12)14)21(16,19)20/h5-7H,3-4,15H2,1-2H3,(H2,16,19,20)
InChIKeyMIBVJFCCMYQPDB-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.37
Rot. Bonds4

About 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide

4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide (PubChem CID 82692799) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide
PubChem CID82692799
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide
SMILESCCc1nn(-c2ccc(S(N)(=O)=O)cc2F)c(CC)c1N
InChIInChI=1S/C13H17FN4O2S/c1-3-10-13(15)11(4-2)18(17-10)12-6-5-8(7-9(12)14)21(16,19)20/h5-7H,3-4,15H2,1-2H3,(H2,16,19,20)
InChIKeyMIBVJFCCMYQPDB-UHFFFAOYSA-N
XLogP1.37
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide (CID 82692799) is 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide is CCc1nn(-c2ccc(S(N)(=O)=O)cc2F)c(CC)c1N.
What is the InChIKey of 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide?
The InChIKey is MIBVJFCCMYQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-3-10-13(15)11(4-2)18(17-10)12-6-5-8(7-9(12)14)21(16,19)20/h5-7H,3-4,15H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide?
4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82692799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).