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

C16H13ClFN3O2S — CID 4772796

IUPAC4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O2S/c17-13-5-7-15(8-6-13)24(22,23)20-14-9-19-21(11-14)10-12-3-1-2-4-16(12)18/h1-9,11,20H,10H2
InChIKeyIPHCGDMWADMUOG-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.52
Rot. Bonds5

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

4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 4772796) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID4772796
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC Name4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN3O2S/c17-13-5-7-15(8-6-13)24(22,23)20-14-9-19-21(11-14)10-12-3-1-2-4-16(12)18/h1-9,11,20H,10H2
InChIKeyIPHCGDMWADMUOG-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 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide (CID 4772796) is 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is IPHCGDMWADMUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c17-13-5-7-15(8-6-13)24(22,23)20-14-9-19-21(11-14)10-12-3-1-2-4-16(12)18/h1-9,11,20H,10H2.
What are the key properties of 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide 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 4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 4772796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).