N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide

C22H18Cl2N4O4S2 — CID 67649651

IUPACN-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C22H18Cl2N4O4S2/c1-27(18-6-4-5-17(24)13-18)34(31,32)22-14-20(15-9-11-16(23)12-10-15)28(26-22)19-7-2-3-8-21(19)33(25,29)30/h2-14H,1H3,(H2,25,29,30)
InChIKeyQHCJTFPWEFOPAM-UHFFFAOYSA-N
MW537.45 g/mol
LogP4.32
Rot. Bonds6

About N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide

N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide (PubChem CID 67649651) has the molecular formula C22H18Cl2N4O4S2 and a molecular weight of 537.45 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
PubChem CID67649651
Molecular FormulaC22H18Cl2N4O4S2
Molecular Weight537.45 g/mol
Exact Mass536.01
IUPAC NameN-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C22H18Cl2N4O4S2/c1-27(18-6-4-5-17(24)13-18)34(31,32)22-14-20(15-9-11-16(23)12-10-15)28(26-22)19-7-2-3-8-21(19)33(25,29)30/h2-14H,1H3,(H2,25,29,30)
InChIKeyQHCJTFPWEFOPAM-UHFFFAOYSA-N
XLogP4.32
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
CID 67647700
2-[5-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581249
2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581147
2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580377
2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580507
2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580684
2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 67580466
2-[3,5-bis(4-bromophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580581
2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70230174
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide
CID 139817998
2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67579897
2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580133

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide (CID 67649651) is N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2S(N)(=O)=O)n1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide?
The InChIKey is QHCJTFPWEFOPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O4S2/c1-27(18-6-4-5-17(24)13-18)34(31,32)22-14-20(15-9-11-16(23)12-10-15)28(26-22)19-7-2-3-8-21(19)33(25,29)30/h2-14H,1H3,(H2,25,29,30).
What are the key properties of N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide?
N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide has a molecular weight of 537.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 67649651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).