4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide

C17H22FN5O3S — CID 26275727

IUPAC4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESCN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O3S/c1-21(27(25,26)15-7-5-14(18)6-8-15)11-12-23-13-16(19-20-23)17(24)22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3
InChIKeyYDDOEHMNGCRGRA-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.36
Rot. Bonds6

About 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide

4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 26275727) has the molecular formula C17H22FN5O3S and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
PubChem CID26275727
Molecular FormulaC17H22FN5O3S
Molecular Weight395.46 g/mol
Exact Mass395.14
IUPAC Name4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESCN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O3S/c1-21(27(25,26)15-7-5-14(18)6-8-15)11-12-23-13-16(19-20-23)17(24)22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3
InChIKeyYDDOEHMNGCRGRA-UHFFFAOYSA-N
XLogP1.36
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide (CID 26275727) is 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide is CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is YDDOEHMNGCRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3S/c1-21(27(25,26)15-7-5-14(18)6-8-15)11-12-23-13-16(19-20-23)17(24)22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 26275727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).