5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C23H21N5O5S2 — CID 11124077

IUPAC5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C23H21N5O5S2/c1-15-13-21(28(27-15)18-5-4-6-19(14-18)34(24,30)31)23(29)26-17-11-9-16(10-12-17)20-7-2-3-8-22(20)35(25,32)33/h2-14H,1H3,(H,26,29)(H2,24,30,31)(H2,25,32,33)
InChIKeyBQKUELYABDCOLP-UHFFFAOYSA-N
MW511.59 g/mol
LogP2.39
Rot. Bonds6

About 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 11124077) has the molecular formula C23H21N5O5S2 and a molecular weight of 511.59 g/mol. Its IUPAC name is 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID11124077
Molecular FormulaC23H21N5O5S2
Molecular Weight511.59 g/mol
Exact Mass511.10
IUPAC Name5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C23H21N5O5S2/c1-15-13-21(28(27-15)18-5-4-6-19(14-18)34(24,30)31)23(29)26-17-11-9-16(10-12-17)20-7-2-3-8-22(20)35(25,32)33/h2-14H,1H3,(H,26,29)(H2,24,30,31)(H2,25,32,33)
InChIKeyBQKUELYABDCOLP-UHFFFAOYSA-N
XLogP2.39
TPSA167.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 11124077) is 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(S(N)(=O)=O)c2)n1.
What is the InChIKey of 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is BQKUELYABDCOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5S2/c1-15-13-21(28(27-15)18-5-4-6-19(14-18)34(24,30)31)23(29)26-17-11-9-16(10-12-17)20-7-2-3-8-22(20)35(25,32)33/h2-14H,1H3,(H,26,29)(H2,24,30,31)(H2,25,32,33).
What are the key properties of 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 511.59 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-sulfamoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 11124077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).