N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide

C15H18FN3O3S — CID 75515879

IUPACN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CC(O)c2ccc(F)cc2)C2CC2)cn1
InChIInChI=1S/C15H18FN3O3S/c1-18-9-14(8-17-18)23(21,22)19(13-6-7-13)10-15(20)11-2-4-12(16)5-3-11/h2-5,8-9,13,15,20H,6-7,10H2,1H3
InChIKeyLOXGDDAAGNGQNT-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.45
Rot. Bonds6

About N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide

N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 75515879) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID75515879
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CC(O)c2ccc(F)cc2)C2CC2)cn1
InChIInChI=1S/C15H18FN3O3S/c1-18-9-14(8-17-18)23(21,22)19(13-6-7-13)10-15(20)11-2-4-12(16)5-3-11/h2-5,8-9,13,15,20H,6-7,10H2,1H3
InChIKeyLOXGDDAAGNGQNT-UHFFFAOYSA-N
XLogP1.45
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide (CID 75515879) is N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(CC(O)c2ccc(F)cc2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is LOXGDDAAGNGQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-18-9-14(8-17-18)23(21,22)19(13-6-7-13)10-15(20)11-2-4-12(16)5-3-11/h2-5,8-9,13,15,20H,6-7,10H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide?
N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 339.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 75515879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).