5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide

C31H37Cl2FN6O3S — CID 59427411

IUPAC5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(F)cc4S(=O)(=O)N(C)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C31H37Cl2FN6O3S/c1-21-19-39(30-28(33)16-23(18-36-30)31(41)35-2)14-15-40(21)27-10-12-38(13-11-27)20-22-4-7-25(34)17-29(22)44(42,43)37(3)26-8-5-24(32)6-9-26/h4-9,16-18,21,27H,10-15,19-20H2,1-3H3,(H,35,41)/t21-/m0/s1
InChIKeyLKZLVPDPFLFOEU-NRFANRHFSA-N
MW663.65 g/mol
LogP4.89
Rot. Bonds8

About 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide

5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 59427411) has the molecular formula C31H37Cl2FN6O3S and a molecular weight of 663.65 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID59427411
Molecular FormulaC31H37Cl2FN6O3S
Molecular Weight663.65 g/mol
Exact Mass662.20
IUPAC Name5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(F)cc4S(=O)(=O)N(C)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C31H37Cl2FN6O3S/c1-21-19-39(30-28(33)16-23(18-36-30)31(41)35-2)14-15-40(21)27-10-12-38(13-11-27)20-22-4-7-25(34)17-29(22)44(42,43)37(3)26-8-5-24(32)6-9-26/h4-9,16-18,21,27H,10-15,19-20H2,1-3H3,(H,35,41)/t21-/m0/s1
InChIKeyLKZLVPDPFLFOEU-NRFANRHFSA-N
XLogP4.89
TPSA89.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.65
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-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 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide (CID 59427411) is 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(F)cc4S(=O)(=O)N(C)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is LKZLVPDPFLFOEU-NRFANRHFSA-N. The full InChI is InChI=1S/C31H37Cl2FN6O3S/c1-21-19-39(30-28(33)16-23(18-36-30)31(41)35-2)14-15-40(21)27-10-12-38(13-11-27)20-22-4-7-25(34)17-29(22)44(42,43)37(3)26-8-5-24(32)6-9-26/h4-9,16-18,21,27H,10-15,19-20H2,1-3H3,(H,35,41)/t21-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 663.65 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-4-[1-[[2-[(4-chlorophenyl)-methylsulfamoyl]-4-fluorophenyl]methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 59427411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).