N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide

C17H22FN3O3S — CID 19931792

IUPACN,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide
SMILESCCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)cc1F
InChIInChI=1S/C17H22FN3O3S/c1-5-13-10-8-9-12(4)15(13)25(23,24)16-14(18)11-21(19-16)17(22)20(6-2)7-3/h8-11H,5-7H2,1-4H3
InChIKeyNOYORPFCORXRJH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.04
Rot. Bonds5

About N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide

N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide (PubChem CID 19931792) has the molecular formula C17H22FN3O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide
PubChem CID19931792
Molecular FormulaC17H22FN3O3S
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC NameN,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide
SMILESCCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)cc1F
InChIInChI=1S/C17H22FN3O3S/c1-5-13-10-8-9-12(4)15(13)25(23,24)16-14(18)11-21(19-16)17(22)20(6-2)7-3/h8-11H,5-7H2,1-4H3
InChIKeyNOYORPFCORXRJH-UHFFFAOYSA-N
XLogP3.04
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide?
The IUPAC name of N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide (CID 19931792) is N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide is CCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)cc1F.
What is the InChIKey of N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide?
The InChIKey is NOYORPFCORXRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S/c1-5-13-10-8-9-12(4)15(13)25(23,24)16-14(18)11-21(19-16)17(22)20(6-2)7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide?
N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide is sourced from PubChem (CID 19931792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).