N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide

C19H20FN3O2S — CID 146570707

IUPACN,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide
SMILESCCn1cc(F)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)n1
InChIInChI=1S/C19H20FN3O2S/c1-2-22-15-18(20)19(21-22)26(24,25)23(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3
InChIKeyUTBMJDKLWNPFQU-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.43
Rot. Bonds7

About N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide

N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide (PubChem CID 146570707) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide
PubChem CID146570707
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide
SMILESCCn1cc(F)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)n1
InChIInChI=1S/C19H20FN3O2S/c1-2-22-15-18(20)19(21-22)26(24,25)23(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3
InChIKeyUTBMJDKLWNPFQU-UHFFFAOYSA-N
XLogP3.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19614787
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N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
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N,N-dibenzylpropane-1-sulfonamide
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2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
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CID 5153096

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide?
The IUPAC name of N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide (CID 146570707) is N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide.
What is the SMILES notation for N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide?
The canonical SMILES for N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide is CCn1cc(F)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)n1.
What is the InChIKey of N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide?
The InChIKey is UTBMJDKLWNPFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-2-22-15-18(20)19(21-22)26(24,25)23(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3.
What are the key properties of N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide?
N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide is sourced from PubChem (CID 146570707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).