N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide

C30H28ClF3N4O5S2 — CID 67870031

IUPACN-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
SMILESCCCc1nn(-c2ccccc2Cl)c(NS(=O)(=O)C(F)(F)F)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1
InChIInChI=1S/C30H28ClF3N4O5S2/c1-2-7-25-23(28(36-45(42,43)30(32,33)34)38(35-25)26-10-5-4-9-24(26)31)18-19-12-14-20(15-13-19)22-8-3-6-11-27(22)44(40,41)37-29(39)21-16-17-21/h3-6,8-15,21,36H,2,7,16-18H2,1H3,(H,37,39)
InChIKeyUEZMORMYYSALJL-UHFFFAOYSA-N
MW681.16 g/mol
LogP6.21
Rot. Bonds11

About N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide

N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide (PubChem CID 67870031) has the molecular formula C30H28ClF3N4O5S2 and a molecular weight of 681.16 g/mol. Its IUPAC name is N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
PubChem CID67870031
Molecular FormulaC30H28ClF3N4O5S2
Molecular Weight681.16 g/mol
Exact Mass680.11
IUPAC NameN-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
SMILESCCCc1nn(-c2ccccc2Cl)c(NS(=O)(=O)C(F)(F)F)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1
InChIInChI=1S/C30H28ClF3N4O5S2/c1-2-7-25-23(28(36-45(42,43)30(32,33)34)38(35-25)26-10-5-4-9-24(26)31)18-19-12-14-20(15-13-19)22-8-3-6-11-27(22)44(40,41)37-29(39)21-16-17-21/h3-6,8-15,21,36H,2,7,16-18H2,1H3,(H,37,39)
InChIKeyUEZMORMYYSALJL-UHFFFAOYSA-N
XLogP6.21
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.16
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide 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-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
The IUPAC name of N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide (CID 67870031) is N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide is CCCc1nn(-c2ccccc2Cl)c(NS(=O)(=O)C(F)(F)F)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
The InChIKey is UEZMORMYYSALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF3N4O5S2/c1-2-7-25-23(28(36-45(42,43)30(32,33)34)38(35-25)26-10-5-4-9-24(26)31)18-19-12-14-20(15-13-19)22-8-3-6-11-27(22)44(40,41)37-29(39)21-16-17-21/h3-6,8-15,21,36H,2,7,16-18H2,1H3,(H,37,39).
What are the key properties of N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide has a molecular weight of 681.16 g/mol, XLogP of 6.21, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[1-(2-chlorophenyl)-3-propyl-5-(trifluoromethylsulfonylamino)pyrazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide is sourced from PubChem (CID 67870031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).