1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride

C9H4Cl2F3N3O2S — CID 43531727

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C9H4Cl2F3N3O2S/c10-7-1-5(9(12,13)14)2-15-8(7)17-4-6(3-16-17)20(11,18)19/h1-4H
InChIKeyKDCQZYQQZADXGP-UHFFFAOYSA-N
MW346.12 g/mol
LogP2.87
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride (PubChem CID 43531727) has the molecular formula C9H4Cl2F3N3O2S and a molecular weight of 346.12 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride
PubChem CID43531727
Molecular FormulaC9H4Cl2F3N3O2S
Molecular Weight346.12 g/mol
Exact Mass344.94
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C9H4Cl2F3N3O2S/c10-7-1-5(9(12,13)14)2-15-8(7)17-4-6(3-16-17)20(11,18)19/h1-4H
InChIKeyKDCQZYQQZADXGP-UHFFFAOYSA-N
XLogP2.87
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride
CID 170968941
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine
CID 19892779
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
CID 62677167
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazole-4-carbaldehyde
CID 43168608
3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 54246481
2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 57361942
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine
CID 83216893
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
3-chloro-2-[5-methylsulfonyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 103596081

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride (CID 43531727) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride?
The InChIKey is KDCQZYQQZADXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F3N3O2S/c10-7-1-5(9(12,13)14)2-15-8(7)17-4-6(3-16-17)20(11,18)19/h1-4H.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride has a molecular weight of 346.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 43531727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).