2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

C25H23Cl2F3N4O2S — CID 57474004

IUPAC2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cn(CC(NS(=O)(=O)c3c(N)cc(Cl)cc3Cl)C(F)(F)F)c3ccccc23)cc1
InChIInChI=1S/C25H23Cl2F3N4O2S/c1-33(2)17-9-7-15(8-10-17)19-13-34(22-6-4-3-5-18(19)22)14-23(25(28,29)30)32-37(35,36)24-20(27)11-16(26)12-21(24)31/h3-13,23,32H,14,31H2,1-2H3
InChIKeyHNWZEMQXWCDFGO-UHFFFAOYSA-N
MW571.45 g/mol
LogP6.17
Rot. Bonds7

About 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 57474004) has the molecular formula C25H23Cl2F3N4O2S and a molecular weight of 571.45 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
PubChem CID57474004
Molecular FormulaC25H23Cl2F3N4O2S
Molecular Weight571.45 g/mol
Exact Mass570.09
IUPAC Name2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cn(CC(NS(=O)(=O)c3c(N)cc(Cl)cc3Cl)C(F)(F)F)c3ccccc23)cc1
InChIInChI=1S/C25H23Cl2F3N4O2S/c1-33(2)17-9-7-15(8-10-17)19-13-34(22-6-4-3-5-18(19)22)14-23(25(28,29)30)32-37(35,36)24-20(27)11-16(26)12-21(24)31/h3-13,23,32H,14,31H2,1-2H3
InChIKeyHNWZEMQXWCDFGO-UHFFFAOYSA-N
XLogP6.17
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.45
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide 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 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 57474004) is 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is CN(C)c1ccc(-c2cn(CC(NS(=O)(=O)c3c(N)cc(Cl)cc3Cl)C(F)(F)F)c3ccccc23)cc1.
What is the InChIKey of 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The InChIKey is HNWZEMQXWCDFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F3N4O2S/c1-33(2)17-9-7-15(8-10-17)19-13-34(22-6-4-3-5-18(19)22)14-23(25(28,29)30)32-37(35,36)24-20(27)11-16(26)12-21(24)31/h3-13,23,32H,14,31H2,1-2H3.
What are the key properties of 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 571.45 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[3-[3-[4-(dimethylamino)phenyl]indol-1-yl]-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 57474004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).