N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide

C16H12ClF2N3O2S — CID 22207182

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nn(Cc2ccccc2)cc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C16H12ClF2N3O2S/c17-13-10-22(9-11-4-2-1-3-5-11)20-16(13)21-25(23,24)15-7-6-12(18)8-14(15)19/h1-8,10H,9H2,(H,20,21)
InChIKeyHGTYAYCYUYEOLF-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.66
Rot. Bonds5

About N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide

N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 22207182) has the molecular formula C16H12ClF2N3O2S and a molecular weight of 383.81 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
PubChem CID22207182
Molecular FormulaC16H12ClF2N3O2S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nn(Cc2ccccc2)cc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C16H12ClF2N3O2S/c17-13-10-22(9-11-4-2-1-3-5-11)20-16(13)21-25(23,24)15-7-6-12(18)8-14(15)19/h1-8,10H,9H2,(H,20,21)
InChIKeyHGTYAYCYUYEOLF-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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Related Compounds

N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-difluorobenzenesulfonamide
CID 22206582
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22207203
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 39853526
N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide
CID 22207169
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 39853499
2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772240
N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
CID 22207196
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 22207135
N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 100615789
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202376
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22207089
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide (CID 22207182) is N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1nn(Cc2ccccc2)cc1Cl)c1ccc(F)cc1F.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is HGTYAYCYUYEOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2S/c17-13-10-22(9-11-4-2-1-3-5-11)20-16(13)21-25(23,24)15-7-6-12(18)8-14(15)19/h1-8,10H,9H2,(H,20,21).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-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-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 22207182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).