2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide

C25H20ClF3N4O3S — CID 168968286

IUPAC2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
SMILESO=C(Nc1cccc2c1cnn2-c1ccc(C(F)(F)F)cc1)c1cc(CNS(=O)(=O)C2CC2)ccc1Cl
InChIInChI=1S/C25H20ClF3N4O3S/c26-21-11-4-15(13-31-37(35,36)18-9-10-18)12-19(21)24(34)32-22-2-1-3-23-20(22)14-30-33(23)17-7-5-16(6-8-17)25(27,28)29/h1-8,11-12,14,18,31H,9-10,13H2,(H,32,34)
InChIKeyCUGFCFXSIHXBJQ-UHFFFAOYSA-N
MW548.97 g/mol
LogP5.53
Rot. Bonds7

About 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide

2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide (PubChem CID 168968286) has the molecular formula C25H20ClF3N4O3S and a molecular weight of 548.97 g/mol. Its IUPAC name is 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
PubChem CID168968286
Molecular FormulaC25H20ClF3N4O3S
Molecular Weight548.97 g/mol
Exact Mass548.09
IUPAC Name2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
SMILESO=C(Nc1cccc2c1cnn2-c1ccc(C(F)(F)F)cc1)c1cc(CNS(=O)(=O)C2CC2)ccc1Cl
InChIInChI=1S/C25H20ClF3N4O3S/c26-21-11-4-15(13-31-37(35,36)18-9-10-18)12-19(21)24(34)32-22-2-1-3-23-20(22)14-30-33(23)17-7-5-16(6-8-17)25(27,28)29/h1-8,11-12,14,18,31H,9-10,13H2,(H,32,34)
InChIKeyCUGFCFXSIHXBJQ-UHFFFAOYSA-N
XLogP5.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.97
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-4-[5-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137632548
5-chloro-4-[5-(3-chlorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137655495
2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317263
2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317316
US11104690, Example 54
CID 134522297
US11104690, Example 51
CID 134522609
US11104690, Example 20
CID 134522732
US11104690, Example 56
CID 134523255
US11104690, Example 25
CID 142354451
US20250059172, Example 29
CID 168967957
US20250059172, Example 47
CID 168967960
US20250059172, Example 22
CID 168967965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide?
The IUPAC name of 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide (CID 168968286) is 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide is O=C(Nc1cccc2c1cnn2-c1ccc(C(F)(F)F)cc1)c1cc(CNS(=O)(=O)C2CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide?
The InChIKey is CUGFCFXSIHXBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O3S/c26-21-11-4-15(13-31-37(35,36)18-9-10-18)12-19(21)24(34)32-22-2-1-3-23-20(22)14-30-33(23)17-7-5-16(6-8-17)25(27,28)29/h1-8,11-12,14,18,31H,9-10,13H2,(H,32,34).
What are the key properties of 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide?
2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide has a molecular weight of 548.97 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide is sourced from PubChem (CID 168968286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).