4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide

C7H10F3N3O3S2 — CID 114188372

IUPAC4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)c1[nH]ncc1CO
InChIInChI=1S/C7H10F3N3O3S2/c8-7(9,10)17-2-1-12-18(15,16)6-5(4-14)3-11-13-6/h3,12,14H,1-2,4H2,(H,11,13)
InChIKeyNUTRRVCAAHBDLZ-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.43
Rot. Bonds6

About 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide

4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 114188372) has the molecular formula C7H10F3N3O3S2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID114188372
Molecular FormulaC7H10F3N3O3S2
Molecular Weight305.30 g/mol
Exact Mass305.01
IUPAC Name4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)c1[nH]ncc1CO
InChIInChI=1S/C7H10F3N3O3S2/c8-7(9,10)17-2-1-12-18(15,16)6-5(4-14)3-11-13-6/h3,12,14H,1-2,4H2,(H,11,13)
InChIKeyNUTRRVCAAHBDLZ-UHFFFAOYSA-N
XLogP0.43
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide
CID 107818591
4-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide
CID 106218444
4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide
CID 106044114
4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106410541
4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522891
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(hydroxymethyl)-1H-pyrazole-5-sulfonamide
CID 106013667
5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106433688
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522942
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
methyl 2-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]benzoate
CID 103833480
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
CID 106433635

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide (CID 114188372) is 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCSC(F)(F)F)c1[nH]ncc1CO.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is NUTRRVCAAHBDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S2/c8-7(9,10)17-2-1-12-18(15,16)6-5(4-14)3-11-13-6/h3,12,14H,1-2,4H2,(H,11,13).
What are the key properties of 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide?
4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 305.30 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 114188372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).