N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide

C16H12ClF2N3O2S — CID 17374524

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H12ClF2N3O2S/c17-13-4-2-1-3-11(13)10-22-8-7-16(20-22)21-25(23,24)12-5-6-14(18)15(19)9-12/h1-9H,10H2,(H,20,21)
InChIKeyXSYLKUYOIPYIED-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.66
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide (PubChem CID 17374524) has the molecular formula C16H12ClF2N3O2S and a molecular weight of 383.81 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide
PubChem CID17374524
Molecular FormulaC16H12ClF2N3O2S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H12ClF2N3O2S/c17-13-4-2-1-3-11(13)10-22-8-7-16(20-22)21-25(23,24)12-5-6-14(18)15(19)9-12/h1-9H,10H2,(H,20,21)
InChIKeyXSYLKUYOIPYIED-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-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide (CID 17374524) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide?
The InChIKey is XSYLKUYOIPYIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2S/c17-13-4-2-1-3-11(13)10-22-8-7-16(20-22)21-25(23,24)12-5-6-14(18)15(19)9-12/h1-9H,10H2,(H,20,21).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide 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-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 17374524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).