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

C26H22N6O5S2 — CID 20595088

IUPAC5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
InChIInChI=1S/C26H22N6O5S2/c1-16-11-22(32(31-16)21-12-17-7-3-4-8-18(17)13-24(21)38(2,34)35)25(33)30-26-28-14-19(15-29-26)20-9-5-6-10-23(20)39(27,36)37/h3-15H,1-2H3,(H2,27,36,37)(H,28,29,30,33)
InChIKeyXVSSIFVHEGZSHN-UHFFFAOYSA-N
MW562.63 g/mol
LogP3.09
Rot. Bonds6

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

5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide (PubChem CID 20595088) has the molecular formula C26H22N6O5S2 and a molecular weight of 562.63 g/mol. Its IUPAC name is 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide
PubChem CID20595088
Molecular FormulaC26H22N6O5S2
Molecular Weight562.63 g/mol
Exact Mass562.11
IUPAC Name5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
InChIInChI=1S/C26H22N6O5S2/c1-16-11-22(32(31-16)21-12-17-7-3-4-8-18(17)13-24(21)38(2,34)35)25(33)30-26-28-14-19(15-29-26)20-9-5-6-10-23(20)39(27,36)37/h3-15H,1-2H3,(H2,27,36,37)(H,28,29,30,33)
InChIKeyXVSSIFVHEGZSHN-UHFFFAOYSA-N
XLogP3.09
TPSA167.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9892106
1-(4-aminoquinazolin-6-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10228720
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 9982428
N-[5-(2-Sulfamoylphenyl)-2-pyrimidinyl]-1-(3-amidinophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10119254
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 10719336
5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 20595087
2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 21366553
2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 21366554
2-(6-chloronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 21366640
2-(6-chloronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide
CID 44273493
N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
CID 44274011
2-(3-carbamoylphenyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 10165413

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide (CID 20595088) is 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ncc(-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)pyrimidin-2-yl]pyrazole-3-carboxamide?
The InChIKey is XVSSIFVHEGZSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O5S2/c1-16-11-22(32(31-16)21-12-17-7-3-4-8-18(17)13-24(21)38(2,34)35)25(33)30-26-28-14-19(15-29-26)20-9-5-6-10-23(20)39(27,36)37/h3-15H,1-2H3,(H2,27,36,37)(H,28,29,30,33).
What are the key properties of 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide?
5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide has a molecular weight of 562.63 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 20595088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).