[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone

C17H15N3O3S2 — CID 129373846

IUPAC[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
SMILESO=C(c1ccc2nsnc2c1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H15N3O3S2/c21-17(12-6-7-15-16(10-12)19-24-18-15)20-9-8-14(11-20)25(22,23)13-4-2-1-3-5-13/h1-7,10,14H,8-9,11H2/t14-/m1/s1
InChIKeyMUXQVZKTLDWTFE-CQSZACIVSA-N
MW373.46 g/mol
LogP2.38
Rot. Bonds3

About [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone

[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone (PubChem CID 129373846) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
PubChem CID129373846
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
SMILESO=C(c1ccc2nsnc2c1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H15N3O3S2/c21-17(12-6-7-15-16(10-12)19-24-18-15)20-9-8-14(11-20)25(22,23)13-4-2-1-3-5-13/h1-7,10,14H,8-9,11H2/t14-/m1/s1
InChIKeyMUXQVZKTLDWTFE-CQSZACIVSA-N
XLogP2.38
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone 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-(benzenesulfonyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 90584897
[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
CID 98193070
2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 71809204
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727
[4-[3-(benzenesulfonyl)pyrrolidine-1-carbonyl]phenyl] acetate
CID 90586799
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
2,1,3-benzothiadiazol-5-yl-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 72720368
[(3S)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129373838
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,4-difluorophenyl)methanone
CID 90584821
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90584854
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 90587778

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone (CID 129373846) is [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone is O=C(c1ccc2nsnc2c1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone?
The InChIKey is MUXQVZKTLDWTFE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c21-17(12-6-7-15-16(10-12)19-24-18-15)20-9-8-14(11-20)25(22,23)13-4-2-1-3-5-13/h1-7,10,14H,8-9,11H2/t14-/m1/s1.
What are the key properties of [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone?
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone is sourced from PubChem (CID 129373846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).