4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane

C21H19Cl2N3O2S2 — CID 142913120

IUPAC4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane
SMILESCC.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)s3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13Cl2N3O2S2.C2H6/c20-13-3-1-12(2-4-13)17-11-16(18-9-10-19(21)27-18)23-24(17)14-5-7-15(8-6-14)28(22,25)26;1-2/h1-11H,(H2,22,25,26);1-2H3
InChIKeyDGFPBQKIXKZGKM-UHFFFAOYSA-N
MW480.44 g/mol
LogP6.25
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane

4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane (PubChem CID 142913120) has the molecular formula C21H19Cl2N3O2S2 and a molecular weight of 480.44 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane
PubChem CID142913120
Molecular FormulaC21H19Cl2N3O2S2
Molecular Weight480.44 g/mol
Exact Mass479.03
IUPAC Name4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane
SMILESCC.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)s3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13Cl2N3O2S2.C2H6/c20-13-3-1-12(2-4-13)17-11-16(18-9-10-19(21)27-18)23-24(17)14-5-7-15(8-6-14)28(22,25)26;1-2/h1-11H,(H2,22,25,26);1-2H3
InChIKeyDGFPBQKIXKZGKM-UHFFFAOYSA-N
XLogP6.25
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.44
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[4-(5-chlorothiophen-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22316835
4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 70280423
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methanesulfinic acid
CID 137462338
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 54306976
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide
CID 2308529
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 10003065
4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668569

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane (CID 142913120) is 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane is CC.NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)s3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane?
The InChIKey is DGFPBQKIXKZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2S2.C2H6/c20-13-3-1-12(2-4-13)17-11-16(18-9-10-19(21)27-18)23-24(17)14-5-7-15(8-6-14)28(22,25)26;1-2/h1-11H,(H2,22,25,26);1-2H3.
What are the key properties of 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane?
4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane has a molecular weight of 480.44 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane is sourced from PubChem (CID 142913120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).