1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide

C14H16FN3O2S — CID 16674142

IUPAC1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C14H16FN3O2S/c1-2-18-10-13(9-16-18)21(19,20)17-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,9-10,17H,2,7-8H2,1H3
InChIKeyJBVNAYUDLHEKGD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.01
Rot. Bonds5

About 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide

1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide (PubChem CID 16674142) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide
PubChem CID16674142
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C14H16FN3O2S/c1-2-18-10-13(9-16-18)21(19,20)17-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,9-10,17H,2,7-8H2,1H3
InChIKeyJBVNAYUDLHEKGD-UHFFFAOYSA-N
XLogP2.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide (CID 16674142) is 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide?
The InChIKey is JBVNAYUDLHEKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-2-18-10-13(9-16-18)21(19,20)17-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,9-10,17H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide?
1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 16674142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).