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

C15H18FN3O3S — CID 60534419

IUPAC3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(CC3CCCO3)c2)cc1F
InChIInChI=1S/C15H18FN3O3S/c1-11-4-5-14(7-15(11)16)23(20,21)18-12-8-17-19(9-12)10-13-3-2-6-22-13/h4-5,7-9,13,18H,2-3,6,10H2,1H3
InChIKeySCPGNWKKIHYFLB-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.31
Rot. Bonds5

About 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 60534419) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID60534419
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(CC3CCCO3)c2)cc1F
InChIInChI=1S/C15H18FN3O3S/c1-11-4-5-14(7-15(11)16)23(20,21)18-12-8-17-19(9-12)10-13-3-2-6-22-13/h4-5,7-9,13,18H,2-3,6,10H2,1H3
InChIKeySCPGNWKKIHYFLB-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

3,4-dimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810293
4-cyano-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810315
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
(5,6,7,8-tetrahydro-2-naphthylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428254
2-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 45905444
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 56805891
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
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 22202037
N-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 5241668

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 60534419) is 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnn(CC3CCCO3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is SCPGNWKKIHYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-11-4-5-14(7-15(11)16)23(20,21)18-12-8-17-19(9-12)10-13-3-2-6-22-13/h4-5,7-9,13,18H,2-3,6,10H2,1H3.
What are the key properties of 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
3-fluoro-4-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 3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 60534419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).