5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide

C27H23N5O5S2 — CID 20595087

IUPAC5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
InChIInChI=1S/C27H23N5O5S2/c1-17-13-23(32(31-17)22-14-18-7-3-4-8-19(18)15-25(22)38(2,34)35)27(33)30-26-12-11-20(16-29-26)21-9-5-6-10-24(21)39(28,36)37/h3-16H,1-2H3,(H2,28,36,37)(H,29,30,33)
InChIKeyHZJFPSDZNNAXQU-UHFFFAOYSA-N
MW561.65 g/mol
LogP3.70
Rot. Bonds6

About 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide

5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 20595087) has the molecular formula C27H23N5O5S2 and a molecular weight of 561.65 g/mol. Its IUPAC name is 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID20595087
Molecular FormulaC27H23N5O5S2
Molecular Weight561.65 g/mol
Exact Mass561.11
IUPAC Name5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
InChIInChI=1S/C27H23N5O5S2/c1-17-13-23(32(31-17)22-14-18-7-3-4-8-19(18)15-25(22)38(2,34)35)27(33)30-26-12-11-20(16-29-26)21-9-5-6-10-24(21)39(28,36)37/h3-16H,1-2H3,(H2,28,36,37)(H,29,30,33)
InChIKeyHZJFPSDZNNAXQU-UHFFFAOYSA-N
XLogP3.70
TPSA154.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.65
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 20595087) is 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1.
What is the InChIKey of 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is HZJFPSDZNNAXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O5S2/c1-17-13-23(32(31-17)22-14-18-7-3-4-8-19(18)15-25(22)38(2,34)35)27(33)30-26-12-11-20(16-29-26)21-9-5-6-10-24(21)39(28,36)37/h3-16H,1-2H3,(H2,28,36,37)(H,29,30,33).
What are the key properties of 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide?
5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 561.65 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 20595087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).