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

C26H20F6N4O5S2 — CID 23646434

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
InChIInChI=1S/C26H20F6N4O5S2/c27-25(28,29)16-9-10-17(26(30,31)32)22(12-16)43(40,41)35-20(24-33-18-3-1-2-4-19(18)34-24)11-14-5-7-15(8-6-14)21-13-23(37)36-42(21,38)39/h1-10,12,20-21,35H,11,13H2,(H,33,34)(H,36,37)/t20-,21?/m0/s1
InChIKeyYNNHORCPGCQELW-BGERDNNASA-N
MW646.59 g/mol
LogP4.75
Rot. Bonds7

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

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 23646434) has the molecular formula C26H20F6N4O5S2 and a molecular weight of 646.59 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID23646434
Molecular FormulaC26H20F6N4O5S2
Molecular Weight646.59 g/mol
Exact Mass646.08
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
InChIInChI=1S/C26H20F6N4O5S2/c27-25(28,29)16-9-10-17(26(30,31)32)22(12-16)43(40,41)35-20(24-33-18-3-1-2-4-19(18)34-24)11-14-5-7-15(8-6-14)21-13-23(37)36-42(21,38)39/h1-10,12,20-21,35H,11,13H2,(H,33,34)(H,36,37)/t20-,21?/m0/s1
InChIKeyYNNHORCPGCQELW-BGERDNNASA-N
XLogP4.75
TPSA138.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.59
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)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-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide (CID 23646434) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide is O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is YNNHORCPGCQELW-BGERDNNASA-N. The full InChI is InChI=1S/C26H20F6N4O5S2/c27-25(28,29)16-9-10-17(26(30,31)32)22(12-16)43(40,41)35-20(24-33-18-3-1-2-4-19(18)34-24)11-14-5-7-15(8-6-14)21-13-23(37)36-42(21,38)39/h1-10,12,20-21,35H,11,13H2,(H,33,34)(H,36,37)/t20-,21?/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 646.59 g/mol, XLogP of 4.75, 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-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23646434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).