4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide

C25H30FN3O3S — CID 122443232

IUPAC4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
SMILESCC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)[C@@H](C)C1
InChIInChI=1S/C25H30FN3O3S/c1-16(2)25(30)29-12-11-21(17(3)14-29)23-15-28(4)24-10-7-19(13-22(23)24)27-33(31,32)20-8-5-18(26)6-9-20/h5-10,13,15-17,21,27H,11-12,14H2,1-4H3/t17-,21+/m0/s1
InChIKeyPEMIKDFOTFZUSV-LAUBAEHRSA-N
MW471.60 g/mol
LogP4.73
Rot. Bonds5

About 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide

4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide (PubChem CID 122443232) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
PubChem CID122443232
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
SMILESCC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)[C@@H](C)C1
InChIInChI=1S/C25H30FN3O3S/c1-16(2)25(30)29-12-11-21(17(3)14-29)23-15-28(4)24-10-7-19(13-22(23)24)27-33(31,32)20-8-5-18(26)6-9-20/h5-10,13,15-17,21,27H,11-12,14H2,1-4H3/t17-,21+/m0/s1
InChIKeyPEMIKDFOTFZUSV-LAUBAEHRSA-N
XLogP4.73
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-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 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide (CID 122443232) is 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide is CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)[C@@H](C)C1.
What is the InChIKey of 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide?
The InChIKey is PEMIKDFOTFZUSV-LAUBAEHRSA-N. The full InChI is InChI=1S/C25H30FN3O3S/c1-16(2)25(30)29-12-11-21(17(3)14-29)23-15-28(4)24-10-7-19(13-22(23)24)27-33(31,32)20-8-5-18(26)6-9-20/h5-10,13,15-17,21,27H,11-12,14H2,1-4H3/t17-,21+/m0/s1.
What are the key properties of 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide?
4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide has a molecular weight of 471.60 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 122443232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).