N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide

C24H19F3N4O3S — CID 19041369

IUPACN-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-15(32)29-18-11-7-16(8-12-18)21-22(17-9-13-20(14-10-17)35(28,33)34)31(19-5-3-2-4-6-19)30-23(21)24(25,26)27/h2-14H,1H3,(H,29,32)(H2,28,33,34)
InChIKeyCBBKHMOCPLAOGW-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.83
Rot. Bonds5

About N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide

N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide (PubChem CID 19041369) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide
PubChem CID19041369
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC NameN-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-15(32)29-18-11-7-16(8-12-18)21-22(17-9-13-20(14-10-17)35(28,33)34)31(19-5-3-2-4-6-19)30-23(21)24(25,26)27/h2-14H,1H3,(H,29,32)(H2,28,33,34)
InChIKeyCBBKHMOCPLAOGW-UHFFFAOYSA-N
XLogP4.83
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide (CID 19041369) is N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide?
The InChIKey is CBBKHMOCPLAOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-15(32)29-18-11-7-16(8-12-18)21-22(17-9-13-20(14-10-17)35(28,33)34)31(19-5-3-2-4-6-19)30-23(21)24(25,26)27/h2-14H,1H3,(H,29,32)(H2,28,33,34).
What are the key properties of N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide?
N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide has a molecular weight of 500.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 19041369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).