3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide

C14H14F4N4O4S — CID 166435149

IUPAC3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)n[nH]1
InChIInChI=1S/C14H14F4N4O4S/c15-13(16)14(17,18)7-26-6-8-2-1-3-9(4-8)27(24,25)22-11-5-10(12(19)23)20-21-11/h1-5,13H,6-7H2,(H2,19,23)(H2,20,21,22)
InChIKeyUVVBQSUGXKIWII-UHFFFAOYSA-N
MW410.35 g/mol
LogP1.73
Rot. Bonds9

About 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide

3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 166435149) has the molecular formula C14H14F4N4O4S and a molecular weight of 410.35 g/mol. Its IUPAC name is 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID166435149
Molecular FormulaC14H14F4N4O4S
Molecular Weight410.35 g/mol
Exact Mass410.07
IUPAC Name3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)n[nH]1
InChIInChI=1S/C14H14F4N4O4S/c15-13(16)14(17,18)7-26-6-8-2-1-3-9(4-8)27(24,25)22-11-5-10(12(19)23)20-21-11/h1-5,13H,6-7H2,(H2,19,23)(H2,20,21,22)
InChIKeyUVVBQSUGXKIWII-UHFFFAOYSA-N
XLogP1.73
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 167818865
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 167774919
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
N-methyl-N-piperidin-4-yl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonamide
CID 119966039
1,3-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 86878531
1-(4-fluorophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]triazole-4-carboxamide
CID 86881382
2-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylpiperazine
CID 119970100
3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 114279782
3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 167944646
N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19405030
[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
CID 43128661
N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11611930

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide (CID 166435149) is 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide is NC(=O)c1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)n[nH]1.
What is the InChIKey of 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is UVVBQSUGXKIWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O4S/c15-13(16)14(17,18)7-26-6-8-2-1-3-9(4-8)27(24,25)22-11-5-10(12(19)23)20-21-11/h1-5,13H,6-7H2,(H2,19,23)(H2,20,21,22).
What are the key properties of 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide?
3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 410.35 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166435149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).