N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide

C16H12ClF2N3O2S — CID 19582050

IUPACN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nn(Cc2ccccc2F)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H12ClF2N3O2S/c17-14-10-22(9-11-3-1-2-4-15(11)19)20-16(14)21-25(23,24)13-7-5-12(18)6-8-13/h1-8,10H,9H2,(H,20,21)
InChIKeyMRCRBOLYHRRMSQ-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.66
Rot. Bonds5

About N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 19582050) has the molecular formula C16H12ClF2N3O2S and a molecular weight of 383.81 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide
PubChem CID19582050
Molecular FormulaC16H12ClF2N3O2S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nn(Cc2ccccc2F)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H12ClF2N3O2S/c17-14-10-22(9-11-3-1-2-4-15(11)19)20-16(14)21-25(23,24)13-7-5-12(18)6-8-13/h1-8,10H,9H2,(H,20,21)
InChIKeyMRCRBOLYHRRMSQ-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide 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-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide (CID 19582050) is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1nn(Cc2ccccc2F)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is MRCRBOLYHRRMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2S/c17-14-10-22(9-11-3-1-2-4-15(11)19)20-16(14)21-25(23,24)13-7-5-12(18)6-8-13/h1-8,10H,9H2,(H,20,21).
What are the key properties of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide?
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 383.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 19582050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).