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

C16H12ClF2N3O2S — CID 4770491

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H12ClF2N3O2S/c17-16-7-13(19)2-1-11(16)9-22-10-14(8-20-22)21-25(23,24)15-5-3-12(18)4-6-15/h1-8,10,21H,9H2
InChIKeyZZAOARLKFAPZCB-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.66
Rot. Bonds5

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 4770491) has the molecular formula C16H12ClF2N3O2S and a molecular weight of 383.81 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
PubChem CID4770491
Molecular FormulaC16H12ClF2N3O2S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H12ClF2N3O2S/c17-16-7-13(19)2-1-11(16)9-22-10-14(8-20-22)21-25(23,24)15-5-3-12(18)4-6-15/h1-8,10,21H,9H2
InChIKeyZZAOARLKFAPZCB-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide (CID 4770491) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is ZZAOARLKFAPZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2S/c17-16-7-13(19)2-1-11(16)9-22-10-14(8-20-22)21-25(23,24)15-5-3-12(18)4-6-15/h1-8,10,21H,9H2.
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-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-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 4770491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).