1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

C9H7F3N4O2S — CID 170968677

IUPAC1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C9H7F3N4O2S/c10-9(11,12)6-1-2-14-8(3-6)16-5-7(4-15-16)19(13,17)18/h1-5H,(H2,13,17,18)
InChIKeyDZRXOIGRHAQPKV-UHFFFAOYSA-N
MW292.24 g/mol
LogP0.93
Rot. Bonds2

About 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968677) has the molecular formula C9H7F3N4O2S and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968677
Molecular FormulaC9H7F3N4O2S
Molecular Weight292.24 g/mol
Exact Mass292.02
IUPAC Name1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C9H7F3N4O2S/c10-9(11,12)6-1-2-14-8(3-6)16-5-7(4-15-16)19(13,17)18/h1-5H,(H2,13,17,18)
InChIKeyDZRXOIGRHAQPKV-UHFFFAOYSA-N
XLogP0.93
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (CID 170968677) is 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is DZRXOIGRHAQPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2S/c10-9(11,12)6-1-2-14-8(3-6)16-5-7(4-15-16)19(13,17)18/h1-5H,(H2,13,17,18).
What are the key properties of 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 292.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).