N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide

C24H23N3O4S2 — CID 123858661

IUPACN-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(-c3nc4ccccc4n3Cc3ccccc3)cc2)C1
InChIInChI=1S/C24H23N3O4S2/c28-32(29)15-14-21(17-32)33(30,31)26-20-12-10-19(11-13-20)24-25-22-8-4-5-9-23(22)27(24)16-18-6-2-1-3-7-18/h1-13,21,26H,14-17H2
InChIKeyQUDGXGZVINMZTN-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.68
Rot. Bonds6

About N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide

N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 123858661) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID123858661
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC NameN-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(-c3nc4ccccc4n3Cc3ccccc3)cc2)C1
InChIInChI=1S/C24H23N3O4S2/c28-32(29)15-14-21(17-32)33(30,31)26-20-12-10-19(11-13-20)24-25-22-8-4-5-9-23(22)27(24)16-18-6-2-1-3-7-18/h1-13,21,26H,14-17H2
InChIKeyQUDGXGZVINMZTN-UHFFFAOYSA-N
XLogP3.68
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide
CID 90040381
N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide
CID 90040778
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
[4-(1-benzylbenzimidazol-2-yl)phenyl] N-phenylcarbamate
CID 110494131
ethyl 3-[[4-(1-benzylbenzimidazol-2-yl)phenyl]sulfamoyl]propanoate;2,2,2-trifluoroacetic acid
CID 90040268
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415
N-ethyl-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 131929446
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide (CID 123858661) is N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccc(-c3nc4ccccc4n3Cc3ccccc3)cc2)C1.
What is the InChIKey of N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is QUDGXGZVINMZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c28-32(29)15-14-21(17-32)33(30,31)26-20-12-10-19(11-13-20)24-25-22-8-4-5-9-23(22)27(24)16-18-6-2-1-3-7-18/h1-13,21,26H,14-17H2.
What are the key properties of N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide?
N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 481.60 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 123858661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).