3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide

C14H16FN3O4S — CID 97428268

IUPAC3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn([C@H]3CCOC3)c2)cc1F
InChIInChI=1S/C14H16FN3O4S/c1-21-14-3-2-12(6-13(14)15)23(19,20)17-10-7-16-18(8-10)11-4-5-22-9-11/h2-3,6-8,11,17H,4-5,9H2,1H3/t11-/m0/s1
InChIKeyMEJHMYZTUFNMKU-NSHDSACASA-N
MW341.36 g/mol
LogP1.79
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide

3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 97428268) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
PubChem CID97428268
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn([C@H]3CCOC3)c2)cc1F
InChIInChI=1S/C14H16FN3O4S/c1-21-14-3-2-12(6-13(14)15)23(19,20)17-10-7-16-18(8-10)11-4-5-22-9-11/h2-3,6-8,11,17H,4-5,9H2,1H3/t11-/m0/s1
InChIKeyMEJHMYZTUFNMKU-NSHDSACASA-N
XLogP1.79
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 31912961
N-[2-(4-fluorophenoxy)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45822310
N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide
CID 56802965
2-(4-fluorophenoxy)-N-(1-methylpyrazol-4-yl)ethanesulfonamide
CID 60343625
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2,3-dihydrobenzofuran-5-sulfonamide
CID 71810313
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71810318
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 71998842
N-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-4-amine
CID 75450237
1-((4-ethoxy-3-fluorophenyl)sulfonyl)-4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepane
CID 86266987
(2-phenoxyethylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428278
2-fluoro-4,5-dimethoxy-N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 56806991
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71997743

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide (CID 97428268) is 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnn([C@H]3CCOC3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is MEJHMYZTUFNMKU-NSHDSACASA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-21-14-3-2-12(6-13(14)15)23(19,20)17-10-7-16-18(8-10)11-4-5-22-9-11/h2-3,6-8,11,17H,4-5,9H2,1H3/t11-/m0/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 341.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 97428268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).