N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide

C21H15ClN4O4S — CID 23215722

IUPACN-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)nn2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H15ClN4O4S/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(13-9-16)26(27)28)25(23-20)24-31(29,30)19-4-2-1-3-5-19/h1-14,24H
InChIKeyNYNKTAZIXPPNIT-UHFFFAOYSA-N
MW454.90 g/mol
LogP4.71
Rot. Bonds6

About N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide

N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23215722) has the molecular formula C21H15ClN4O4S and a molecular weight of 454.90 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23215722
Molecular FormulaC21H15ClN4O4S
Molecular Weight454.90 g/mol
Exact Mass454.05
IUPAC NameN-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)nn2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H15ClN4O4S/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(13-9-16)26(27)28)25(23-20)24-31(29,30)19-4-2-1-3-5-19/h1-14,24H
InChIKeyNYNKTAZIXPPNIT-UHFFFAOYSA-N
XLogP4.71
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.90
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580493
N-[5-(3-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580443
N-[5-(4-chlorophenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209750
N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215863
N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580508
1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 67649580
N-[5-(4-chlorophenyl)-3-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580098
N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209774
N-[5-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209729
N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide
CID 167970264
N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209775
CID 70381437
CID 70381437

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide (CID 23215722) is N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide is O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)nn2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is NYNKTAZIXPPNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O4S/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(13-9-16)26(27)28)25(23-20)24-31(29,30)19-4-2-1-3-5-19/h1-14,24H.
What are the key properties of N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide?
N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 454.90 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23215722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).