N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H17F3N6O4S — CID 118172736

IUPACN-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)c1
InChIInChI=1S/C22H17F3N6O4S/c23-22(24,25)19-6-2-5-18(29-19)21(33)28-15-7-8-17-13(9-15)11-31(30-17)12-20(32)27-14-3-1-4-16(10-14)36(26,34)35/h1-11H,12H2,(H,27,32)(H,28,33)(H2,26,34,35)
InChIKeyVUFPTJZBFBAHOK-UHFFFAOYSA-N
MW518.48 g/mol
LogP2.99
Rot. Bonds6

About N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172736) has the molecular formula C22H17F3N6O4S and a molecular weight of 518.48 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172736
Molecular FormulaC22H17F3N6O4S
Molecular Weight518.48 g/mol
Exact Mass518.10
IUPAC NameN-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)c1
InChIInChI=1S/C22H17F3N6O4S/c23-22(24,25)19-6-2-5-18(29-19)21(33)28-15-7-8-17-13(9-15)11-31(30-17)12-20(32)27-14-3-1-4-16(10-14)36(26,34)35/h1-11H,12H2,(H,27,32)(H,28,33)(H2,26,34,35)
InChIKeyVUFPTJZBFBAHOK-UHFFFAOYSA-N
XLogP2.99
TPSA149.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-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-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172736) is N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is NS(=O)(=O)c1cccc(NC(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)c1.
What is the InChIKey of N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VUFPTJZBFBAHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O4S/c23-22(24,25)19-6-2-5-18(29-19)21(33)28-15-7-8-17-13(9-15)11-31(30-17)12-20(32)27-14-3-1-4-16(10-14)36(26,34)35/h1-11H,12H2,(H,27,32)(H,28,33)(H2,26,34,35).
What are the key properties of N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 518.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-(3-sulfamoylanilino)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).