N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide

C15H18FN3O3S — CID 56793692

IUPACN-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1
InChIInChI=1S/C15H18FN3O3S/c1-19-11-14(10-17-19)23(20,21)18-15(6-8-22-9-7-15)12-2-4-13(16)5-3-12/h2-5,10-11,18H,6-9H2,1H3
InChIKeyIGXBYKBFOPHSTF-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.54
Rot. Bonds4

About N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide

N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 56793692) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID56793692
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1
InChIInChI=1S/C15H18FN3O3S/c1-19-11-14(10-17-19)23(20,21)18-15(6-8-22-9-7-15)12-2-4-13(16)5-3-12/h2-5,10-11,18H,6-9H2,1H3
InChIKeyIGXBYKBFOPHSTF-UHFFFAOYSA-N
XLogP1.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
US9670210, Example 114 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302811
1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 19582066
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71810691
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71895738
1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
CID 75387058
N-benzyl-9-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919095
1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 6468105
1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 16673861
1-ethyl-N-[1-(4-fluorophenyl)cyclopropyl]pyrazole-4-sulfonamide
CID 16674142
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)piperidine
CID 56889664

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide (CID 56793692) is N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1.
What is the InChIKey of N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is IGXBYKBFOPHSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-19-11-14(10-17-19)23(20,21)18-15(6-8-22-9-7-15)12-2-4-13(16)5-3-12/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide?
N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 339.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)oxan-4-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 56793692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).