4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride

C11H18ClN3O4S2 — CID 120999160

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C11H17N3O4S2.ClH/c1-13-19(15,16)10-2-4-11(5-3-10)20(17,18)14-7-6-9(12)8-14;/h2-5,9,13H,6-8,12H2,1H3;1H/t9-;/m1./s1
InChIKeyFSWODVPJXFRVPJ-SBSPUUFOSA-N
MW355.87 g/mol
LogP-0.26
Rot. Bonds4

About 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride

4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 120999160) has the molecular formula C11H18ClN3O4S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
PubChem CID120999160
Molecular FormulaC11H18ClN3O4S2
Molecular Weight355.87 g/mol
Exact Mass355.04
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C11H17N3O4S2.ClH/c1-13-19(15,16)10-2-4-11(5-3-10)20(17,18)14-7-6-9(12)8-14;/h2-5,9,13H,6-8,12H2,1H3;1H/t9-;/m1./s1
InChIKeyFSWODVPJXFRVPJ-SBSPUUFOSA-N
XLogP-0.26
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
CID 43605483
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532
(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 86814826
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride (CID 120999160) is 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride is CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is FSWODVPJXFRVPJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H17N3O4S2.ClH/c1-13-19(15,16)10-2-4-11(5-3-10)20(17,18)14-7-6-9(12)8-14;/h2-5,9,13H,6-8,12H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride?
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120999160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).