4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide

C19H20N4O3S — CID 90505752

IUPAC4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-22(2)27(25,26)15-9-7-13(8-10-15)19(24)23-11-14(12-23)18-20-16-5-3-4-6-17(16)21-18/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyHFEVNUDOTYJZIV-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.05
Rot. Bonds4

About 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide

4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 90505752) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
PubChem CID90505752
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-22(2)27(25,26)15-9-7-13(8-10-15)19(24)23-11-14(12-23)18-20-16-5-3-4-6-17(16)21-18/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyHFEVNUDOTYJZIV-UHFFFAOYSA-N
XLogP2.05
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
CID 138994053
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 46852471
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
CID 155947898
4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 25352191
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-tert-butylpyrrol-3-yl)methanone
CID 90651979
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide (CID 90505752) is 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is HFEVNUDOTYJZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-22(2)27(25,26)15-9-7-13(8-10-15)19(24)23-11-14(12-23)18-20-16-5-3-4-6-17(16)21-18/h3-10,14H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 90505752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).