5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

C19H23N3O3S — CID 120749760

IUPAC5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C19H23N3O3S/c1-12-8-15(9-18(13(12)2)26(21,24)25)19(23)22-10-16(17(20)11-22)14-6-4-3-5-7-14/h3-9,16-17H,10-11,20H2,1-2H3,(H2,21,24,25)/t16-,17+/m0/s1
InChIKeyCILQJKMPDYQEPW-DLBZAZTESA-N
MW373.48 g/mol
LogP1.52
Rot. Bonds3

About 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 120749760) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
PubChem CID120749760
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C19H23N3O3S/c1-12-8-15(9-18(13(12)2)26(21,24)25)19(23)22-10-16(17(20)11-22)14-6-4-3-5-7-14/h3-9,16-17H,10-11,20H2,1-2H3,(H2,21,24,25)/t16-,17+/m0/s1
InChIKeyCILQJKMPDYQEPW-DLBZAZTESA-N
XLogP1.52
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 120746465
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 120747550
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
CID 120745790
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-chloro-4-methylphenyl)methanone;hydrochloride
CID 120749127
5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 86977784
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-4-nitrophenyl)methanone;hydrochloride
CID 120749859
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120746934
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 120749868
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 120748729
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-4-methoxybenzenesulfonamide
CID 120747556

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (CID 120749760) is 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is Cc1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is CILQJKMPDYQEPW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-8-15(9-18(13(12)2)26(21,24)25)19(23)22-10-16(17(20)11-22)14-6-4-3-5-7-14/h3-9,16-17H,10-11,20H2,1-2H3,(H2,21,24,25)/t16-,17+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 120749760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).