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

C7H11F2N3O3S — CID 103836727

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)C(F)F)cn1
InChIInChI=1S/C7H11F2N3O3S/c1-12-4-5(2-10-12)16(14,15)11-3-6(13)7(8)9/h2,4,6-7,11,13H,3H2,1H3
InChIKeyGPMGOMSUGJZCCI-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.68
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 103836727) has the molecular formula C7H11F2N3O3S and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide
PubChem CID103836727
Molecular FormulaC7H11F2N3O3S
Molecular Weight255.25 g/mol
Exact Mass255.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)C(F)F)cn1
InChIInChI=1S/C7H11F2N3O3S/c1-12-4-5(2-10-12)16(14,15)11-3-6(13)7(8)9/h2,4,6-7,11,13H,3H2,1H3
InChIKeyGPMGOMSUGJZCCI-UHFFFAOYSA-N
XLogP-0.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide (CID 103836727) is N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(O)C(F)F)cn1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is GPMGOMSUGJZCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O3S/c1-12-4-5(2-10-12)16(14,15)11-3-6(13)7(8)9/h2,4,6-7,11,13H,3H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 103836727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).