3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide

C13H14ClFN4O3S — CID 19932257

IUPAC3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2ccc(Cl)cn2)n1
InChIInChI=1S/C13H14ClFN4O3S/c1-3-18(4-2)13(20)19-8-10(15)12(17-19)23(21,22)11-6-5-9(14)7-16-11/h5-8H,3-4H2,1-2H3
InChIKeyAOLZJALNMDRGHQ-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.21
Rot. Bonds4

About 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide

3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide (PubChem CID 19932257) has the molecular formula C13H14ClFN4O3S and a molecular weight of 360.80 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide
PubChem CID19932257
Molecular FormulaC13H14ClFN4O3S
Molecular Weight360.80 g/mol
Exact Mass360.05
IUPAC Name3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2ccc(Cl)cn2)n1
InChIInChI=1S/C13H14ClFN4O3S/c1-3-18(4-2)13(20)19-8-10(15)12(17-19)23(21,22)11-6-5-9(14)7-16-11/h5-8H,3-4H2,1-2H3
InChIKeyAOLZJALNMDRGHQ-UHFFFAOYSA-N
XLogP2.21
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide (CID 19932257) is 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide is CCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2ccc(Cl)cn2)n1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The InChIKey is AOLZJALNMDRGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O3S/c1-3-18(4-2)13(20)19-8-10(15)12(17-19)23(21,22)11-6-5-9(14)7-16-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)sulfonyl]-N,N-diethyl-4-fluoropyrazole-1-carboxamide is sourced from PubChem (CID 19932257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).