4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde

C14H19FN2O4S — CID 110758217

IUPAC4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1F
InChIInChI=1S/C14H19FN2O4S/c1-11(2)21-14-4-3-12(9-13(14)15)22(19,20)17-7-5-16(10-18)6-8-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyYFMBMQWPDOTMOO-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.08
Rot. Bonds5

About 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde

4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde (PubChem CID 110758217) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde
PubChem CID110758217
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1F
InChIInChI=1S/C14H19FN2O4S/c1-11(2)21-14-4-3-12(9-13(14)15)22(19,20)17-7-5-16(10-18)6-8-17/h3-4,9-11H,5-8H2,1-2H3
InChIKeyYFMBMQWPDOTMOO-UHFFFAOYSA-N
XLogP1.08
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde 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

4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110758239
4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3872116
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 1433317
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 3868598
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-1,4-diazepane
CID 120999337
(2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 97251654

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde?
The IUPAC name of 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde (CID 110758217) is 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde is CC(C)Oc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde?
The InChIKey is YFMBMQWPDOTMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-11(2)21-14-4-3-12(9-13(14)15)22(19,20)17-7-5-16(10-18)6-8-17/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde?
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde has a molecular weight of 330.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carbaldehyde is sourced from PubChem (CID 110758217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).