N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine

C21H21ClF3N3O2S — CID 53304169

IUPACN-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4cc(Cl)ccc34)ccc2C(F)(F)F)CC1
InChIInChI=1S/C21H21ClF3N3O2S/c1-28-8-6-14(7-9-28)27-19-11-15(3-5-17(19)21(23,24)25)31(29,30)20-12-26-18-10-13(22)2-4-16(18)20/h2-5,10-12,14,26-27H,6-9H2,1H3
InChIKeyYXRBRCXJNVTKEI-UHFFFAOYSA-N
MW471.93 g/mol
LogP5.18
Rot. Bonds4

About N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine

N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine (PubChem CID 53304169) has the molecular formula C21H21ClF3N3O2S and a molecular weight of 471.93 g/mol. Its IUPAC name is N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
PubChem CID53304169
Molecular FormulaC21H21ClF3N3O2S
Molecular Weight471.93 g/mol
Exact Mass471.10
IUPAC NameN-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4cc(Cl)ccc34)ccc2C(F)(F)F)CC1
InChIInChI=1S/C21H21ClF3N3O2S/c1-28-8-6-14(7-9-28)27-19-11-15(3-5-17(19)21(23,24)25)31(29,30)20-12-26-18-10-13(22)2-4-16(18)20/h2-5,10-12,14,26-27H,6-9H2,1H3
InChIKeyYXRBRCXJNVTKEI-UHFFFAOYSA-N
XLogP5.18
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.93
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine 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-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine (CID 53304169) is N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4cc(Cl)ccc34)ccc2C(F)(F)F)CC1.
What is the InChIKey of N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The InChIKey is YXRBRCXJNVTKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O2S/c1-28-8-6-14(7-9-28)27-19-11-15(3-5-17(19)21(23,24)25)31(29,30)20-12-26-18-10-13(22)2-4-16(18)20/h2-5,10-12,14,26-27H,6-9H2,1H3.
What are the key properties of N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine has a molecular weight of 471.93 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 53304169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).