N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide

C28H22FN5O2S — CID 58790753

IUPACN-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(c1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C28H22FN5O2S/c1-33-16-25(31-17-33)37(35,36)34(2)21-12-13-24-22(14-21)27-26(19-6-4-3-5-7-19)23(15-30-28(27)32-24)18-8-10-20(29)11-9-18/h3-17H,1-2H3,(H,30,32)
InChIKeyVLKYCLMLBDQCRX-UHFFFAOYSA-N
MW511.58 g/mol
LogP5.75
Rot. Bonds5

About N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide

N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 58790753) has the molecular formula C28H22FN5O2S and a molecular weight of 511.58 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID58790753
Molecular FormulaC28H22FN5O2S
Molecular Weight511.58 g/mol
Exact Mass511.15
IUPAC NameN-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(c1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C28H22FN5O2S/c1-33-16-25(31-17-33)37(35,36)34(2)21-12-13-24-22(14-21)27-26(19-6-4-3-5-7-19)23(15-30-28(27)32-24)18-8-10-20(29)11-9-18/h3-17H,1-2H3,(H,30,32)
InChIKeyVLKYCLMLBDQCRX-UHFFFAOYSA-N
XLogP5.75
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide 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-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide (CID 58790753) is N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide is CN(c1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is VLKYCLMLBDQCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O2S/c1-33-16-25(31-17-33)37(35,36)34(2)21-12-13-24-22(14-21)27-26(19-6-4-3-5-7-19)23(15-30-28(27)32-24)18-8-10-20(29)11-9-18/h3-17H,1-2H3,(H,30,32).
What are the key properties of N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide?
N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 511.58 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 58790753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).