3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide

C18H17FN4O3S — CID 146024720

IUPAC3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C18H17FN4O3S/c19-12-6-7-14-15(10-12)22-17(21-14)16-5-2-8-23(16)18(24)11-3-1-4-13(9-11)27(20,25)26/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,21,22)(H2,20,25,26)
InChIKeyPNTIVLGFSLTNJO-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.33
Rot. Bonds3

About 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide

3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 146024720) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID146024720
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C18H17FN4O3S/c19-12-6-7-14-15(10-12)22-17(21-14)16-5-2-8-23(16)18(24)11-3-1-4-13(9-11)27(20,25)26/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,21,22)(H2,20,25,26)
InChIKeyPNTIVLGFSLTNJO-UHFFFAOYSA-N
XLogP2.33
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide 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

3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95874157
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95873622
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95873621
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70776944
2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 99976246
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 125159765
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 95893859
(2,3-dimethyl-1H-indol-7-yl)-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024728
3-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 51559618
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 146024720) is 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1cccc(C(=O)N2CCCC2c2nc3ccc(F)cc3[nH]2)c1.
What is the InChIKey of 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is PNTIVLGFSLTNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-12-6-7-14-15(10-12)22-17(21-14)16-5-2-8-23(16)18(24)11-3-1-4-13(9-11)27(20,25)26/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,21,22)(H2,20,25,26).
What are the key properties of 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide?
3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 146024720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).