4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide

C7H9ClF3N3O3S — CID 114150453

IUPAC4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H9ClF3N3O3S/c1-14-6(4(8)2-12-14)18(16,17)13-3-5(15)7(9,10)11/h2,5,13,15H,3H2,1H3
InChIKeyKZLAYOWAEIDGNL-UHFFFAOYSA-N
MW307.68 g/mol
LogP0.28
Rot. Bonds4

About 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide (PubChem CID 114150453) has the molecular formula C7H9ClF3N3O3S and a molecular weight of 307.68 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide
PubChem CID114150453
Molecular FormulaC7H9ClF3N3O3S
Molecular Weight307.68 g/mol
Exact Mass307.00
IUPAC Name4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H9ClF3N3O3S/c1-14-6(4(8)2-12-14)18(16,17)13-3-5(15)7(9,10)11/h2,5,13,15H,3H2,1H3
InChIKeyKZLAYOWAEIDGNL-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide (CID 114150453) is 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide?
The InChIKey is KZLAYOWAEIDGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3N3O3S/c1-14-6(4(8)2-12-14)18(16,17)13-3-5(15)7(9,10)11/h2,5,13,15H,3H2,1H3.
What are the key properties of 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide has a molecular weight of 307.68 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 114150453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).