N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide

C14H15FN4O2S — CID 75376208

IUPACN-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)Nc2ccn(CCCC#N)n2)c1
InChIInChI=1S/C14H15FN4O2S/c1-11-8-12(15)10-13(9-11)22(20,21)18-14-4-7-19(17-14)6-3-2-5-16/h4,7-10H,2-3,6H2,1H3,(H,17,18)
InChIKeyKUPVRZTXEHSZBV-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.44
Rot. Bonds6

About N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide

N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide (PubChem CID 75376208) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide
PubChem CID75376208
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC NameN-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)Nc2ccn(CCCC#N)n2)c1
InChIInChI=1S/C14H15FN4O2S/c1-11-8-12(15)10-13(9-11)22(20,21)18-14-4-7-19(17-14)6-3-2-5-16/h4,7-10H,2-3,6H2,1H3,(H,17,18)
InChIKeyKUPVRZTXEHSZBV-UHFFFAOYSA-N
XLogP2.44
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide 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 N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide (CID 75376208) is N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide is Cc1cc(F)cc(S(=O)(=O)Nc2ccn(CCCC#N)n2)c1.
What is the InChIKey of N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide?
The InChIKey is KUPVRZTXEHSZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-11-8-12(15)10-13(9-11)22(20,21)18-14-4-7-19(17-14)6-3-2-5-16/h4,7-10H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide?
N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide has a molecular weight of 322.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 75376208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).