3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C15H18FN3O3S — CID 91770068

IUPAC3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCn1cc(C(NS(=O)(=O)c2cccc(F)c2)C2CC(O)C2)cn1
InChIInChI=1S/C15H18FN3O3S/c1-19-9-11(8-17-19)15(10-5-13(20)6-10)18-23(21,22)14-4-2-3-12(16)7-14/h2-4,7-10,13,15,18,20H,5-6H2,1H3
InChIKeyCIRDLPMGDAXJJD-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.35
Rot. Bonds5

About 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 91770068) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID91770068
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCn1cc(C(NS(=O)(=O)c2cccc(F)c2)C2CC(O)C2)cn1
InChIInChI=1S/C15H18FN3O3S/c1-19-9-11(8-17-19)15(10-5-13(20)6-10)18-23(21,22)14-4-2-3-12(16)7-14/h2-4,7-10,13,15,18,20H,5-6H2,1H3
InChIKeyCIRDLPMGDAXJJD-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 91786796
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580
2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91781314
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91791060
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 91792904
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 91770029
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 91770068) is 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is Cn1cc(C(NS(=O)(=O)c2cccc(F)c2)C2CC(O)C2)cn1.
What is the InChIKey of 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is CIRDLPMGDAXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-19-9-11(8-17-19)15(10-5-13(20)6-10)18-23(21,22)14-4-2-3-12(16)7-14/h2-4,7-10,13,15,18,20H,5-6H2,1H3.
What are the key properties of 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91770068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).