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

C16H13ClFN3O2S — CID 4772840

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O2S/c17-16-4-2-1-3-12(16)10-21-11-14(9-19-21)20-24(22,23)15-7-5-13(18)6-8-15/h1-9,11,20H,10H2
InChIKeyCSDLHQKILWJZAW-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.52
Rot. Bonds5

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

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 4772840) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
PubChem CID4772840
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O2S/c17-16-4-2-1-3-12(16)10-21-11-14(9-19-21)20-24(22,23)15-7-5-13(18)6-8-15/h1-9,11,20H,10H2
InChIKeyCSDLHQKILWJZAW-UHFFFAOYSA-N
XLogP3.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide (CID 4772840) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is CSDLHQKILWJZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c17-16-4-2-1-3-12(16)10-21-11-14(9-19-21)20-24(22,23)15-7-5-13(18)6-8-15/h1-9,11,20H,10H2.
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 365.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 4772840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).