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

C28H23BrN4O5S2 — CID 20616802

IUPACN-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Br)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
InChIInChI=1S/C28H23BrN4O5S2/c1-17-13-25(33(32-17)24-15-18-7-3-4-8-19(18)16-27(24)39(2,35)36)28(34)31-23-12-11-20(14-22(23)29)21-9-5-6-10-26(21)40(30,37)38/h3-16H,1-2H3,(H,31,34)(H2,30,37,38)
InChIKeySMFMJKADQDXZNP-UHFFFAOYSA-N
MW639.55 g/mol
LogP5.07
Rot. Bonds6

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

N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide (PubChem CID 20616802) has the molecular formula C28H23BrN4O5S2 and a molecular weight of 639.55 g/mol. Its IUPAC name is N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
PubChem CID20616802
Molecular FormulaC28H23BrN4O5S2
Molecular Weight639.55 g/mol
Exact Mass638.03
IUPAC NameN-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Br)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
InChIInChI=1S/C28H23BrN4O5S2/c1-17-13-25(33(32-17)24-15-18-7-3-4-8-19(18)16-27(24)39(2,35)36)28(34)31-23-12-11-20(14-22(23)29)21-9-5-6-10-26(21)40(30,37)38/h3-16H,1-2H3,(H,31,34)(H2,30,37,38)
InChIKeySMFMJKADQDXZNP-UHFFFAOYSA-N
XLogP5.07
TPSA141.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.55
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide (CID 20616802) is N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Br)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1.
What is the InChIKey of N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide?
The InChIKey is SMFMJKADQDXZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrN4O5S2/c1-17-13-25(33(32-17)24-15-18-7-3-4-8-19(18)16-27(24)39(2,35)36)28(34)31-23-12-11-20(14-22(23)29)21-9-5-6-10-26(21)40(30,37)38/h3-16H,1-2H3,(H,31,34)(H2,30,37,38).
What are the key properties of N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide?
N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide has a molecular weight of 639.55 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 20616802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).