N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide

C25H24N4O5S2 — CID 11226572

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
SMILESCc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)NS1(=O)=O
InChIInChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23-/m0/s1
InChIKeyFBFPKPPWVZPZDO-GOTSBHOMSA-N
MW524.62 g/mol
LogP3.02
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide (PubChem CID 11226572) has the molecular formula C25H24N4O5S2 and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
PubChem CID11226572
Molecular FormulaC25H24N4O5S2
Molecular Weight524.62 g/mol
Exact Mass524.12
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
SMILESCc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)NS1(=O)=O
InChIInChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23-/m0/s1
InChIKeyFBFPKPPWVZPZDO-GOTSBHOMSA-N
XLogP3.02
TPSA138.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]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 N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide (CID 11226572) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide is Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)NS1(=O)=O.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is FBFPKPPWVZPZDO-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 524.62 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[3-methyl-4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11226572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).