4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

C15H18FN3O3S — CID 60534507

IUPAC4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H18FN3O3S/c1-11-7-12(16)4-5-15(11)23(20,21)18-13-8-17-19(9-13)10-14-3-2-6-22-14/h4-5,7-9,14,18H,2-3,6,10H2,1H3
InChIKeyVUUOYIXNAPIFAF-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.31
Rot. Bonds5

About 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 60534507) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID60534507
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H18FN3O3S/c1-11-7-12(16)4-5-15(11)23(20,21)18-13-8-17-19(9-13)10-14-3-2-6-22-14/h4-5,7-9,14,18H,2-3,6,10H2,1H3
InChIKeyVUUOYIXNAPIFAF-UHFFFAOYSA-N
XLogP2.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)methanesulfonamide
CID 72719682
[m-(trifluoromethyl)phenylsulfonyl]{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428248
(E)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(p-tolyl)ethenesulfonamide
CID 72719677
(3-chloro-2-tolylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428242
2-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 45905444
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 56805890
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428220
2,5-difluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428252
4-methyl-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}benzenesulfonamide
CID 19582211
N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 31912911
N-[(2,5-difluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745469
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745482

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 60534507) is 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is VUUOYIXNAPIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-11-7-12(16)4-5-15(11)23(20,21)18-13-8-17-19(9-13)10-14-3-2-6-22-14/h4-5,7-9,14,18H,2-3,6,10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 60534507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).