4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide

C7H10ClF2N3O3S — CID 114150466

IUPAC4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H10ClF2N3O3S/c1-13-7(4(8)2-11-13)17(15,16)12-3-5(14)6(9)10/h2,5-6,12,14H,3H2,1H3
InChIKeyGHBTVDKIVBZLLZ-UHFFFAOYSA-N
MW289.69 g/mol
LogP-0.02
Rot. Bonds5

About 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 114150466) has the molecular formula C7H10ClF2N3O3S and a molecular weight of 289.69 g/mol. Its IUPAC name is 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide
PubChem CID114150466
Molecular FormulaC7H10ClF2N3O3S
Molecular Weight289.69 g/mol
Exact Mass289.01
IUPAC Name4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H10ClF2N3O3S/c1-13-7(4(8)2-11-13)17(15,16)12-3-5(14)6(9)10/h2,5-6,12,14H,3H2,1H3
InChIKeyGHBTVDKIVBZLLZ-UHFFFAOYSA-N
XLogP-0.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide (CID 114150466) is 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is GHBTVDKIVBZLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2N3O3S/c1-13-7(4(8)2-11-13)17(15,16)12-3-5(14)6(9)10/h2,5-6,12,14H,3H2,1H3.
What are the key properties of 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 289.69 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 114150466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).