2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide

C7H10F3N3O3S — CID 104773006

IUPAC2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H10F3N3O3S/c1-13-6(2-3-11-13)17(15,16)12-4-5(14)7(8,9)10/h2-3,5,12,14H,4H2,1H3
InChIKeySCUIEQIVNXZQMD-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.38
Rot. Bonds4

About 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide

2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide (PubChem CID 104773006) has the molecular formula C7H10F3N3O3S and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
PubChem CID104773006
Molecular FormulaC7H10F3N3O3S
Molecular Weight273.24 g/mol
Exact Mass273.04
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H10F3N3O3S/c1-13-6(2-3-11-13)17(15,16)12-4-5(14)7(8,9)10/h2-3,5,12,14H,4H2,1H3
InChIKeySCUIEQIVNXZQMD-UHFFFAOYSA-N
XLogP-0.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 132295301
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
CID 142588003
N,2-dimethyl-N-[(E)-3-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethylamino]prop-1-enyl]pyrazole-3-sulfonamide;molecular hydrogen
CID 144872973
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
CID 103833956
N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide
CID 103836727
2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide
CID 104709789
N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 104773079
N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 104858898
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 107493838
N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 107493924
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-sulfonamide
CID 113964816
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 113964839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide (CID 104773006) is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The InChIKey is SCUIEQIVNXZQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S/c1-13-6(2-3-11-13)17(15,16)12-4-5(14)7(8,9)10/h2-3,5,12,14H,4H2,1H3.
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide has a molecular weight of 273.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 104773006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).