2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C27H21FN4O3S — CID 21366667

IUPAC2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3cc(F)ccc3c2)n1
InChIInChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
InChIKeyHKCUGPRZGRSSHT-UHFFFAOYSA-N
MW500.56 g/mol
LogP5.04
Rot. Bonds5

About 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 21366667) has the molecular formula C27H21FN4O3S and a molecular weight of 500.56 g/mol. Its IUPAC name is 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID21366667
Molecular FormulaC27H21FN4O3S
Molecular Weight500.56 g/mol
Exact Mass500.13
IUPAC Name2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3cc(F)ccc3c2)n1
InChIInChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
InChIKeyHKCUGPRZGRSSHT-UHFFFAOYSA-N
XLogP5.04
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 21366667) is 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3cc(F)ccc3c2)n1.
What is the InChIKey of 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is HKCUGPRZGRSSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35).
What are the key properties of 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 21366667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).