1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride

C9H5ClF3N3O2S — CID 170968941

IUPAC1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C9H5ClF3N3O2S/c10-19(17,18)8-4-15-16(5-8)7-1-6(2-14-3-7)9(11,12)13/h1-5H
InChIKeyQXDPCUJYSXRVRD-UHFFFAOYSA-N
MW311.67 g/mol
LogP2.21
Rot. Bonds2

About 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride

1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride (PubChem CID 170968941) has the molecular formula C9H5ClF3N3O2S and a molecular weight of 311.67 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride
PubChem CID170968941
Molecular FormulaC9H5ClF3N3O2S
Molecular Weight311.67 g/mol
Exact Mass310.97
IUPAC Name1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C9H5ClF3N3O2S/c10-19(17,18)8-4-15-16(5-8)7-1-6(2-14-3-7)9(11,12)13/h1-5H
InChIKeyQXDPCUJYSXRVRD-UHFFFAOYSA-N
XLogP2.21
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.67
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride (CID 170968941) is 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(-c2cncc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride?
The InChIKey is QXDPCUJYSXRVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O2S/c10-19(17,18)8-4-15-16(5-8)7-1-6(2-14-3-7)9(11,12)13/h1-5H.
What are the key properties of 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride?
1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride has a molecular weight of 311.67 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 170968941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).