N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide

C11H14N2O3S2 — CID 168708383

IUPACN-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(N2CC(S)CC2=O)c1
InChIInChI=1S/C11H14N2O3S2/c1-12-18(15,16)10-4-2-3-8(5-10)13-7-9(17)6-11(13)14/h2-5,9,12,17H,6-7H2,1H3
InChIKeySLOZGUVCUJRHMV-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.63
Rot. Bonds3

About N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide

N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide (PubChem CID 168708383) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide
PubChem CID168708383
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(N2CC(S)CC2=O)c1
InChIInChI=1S/C11H14N2O3S2/c1-12-18(15,16)10-4-2-3-8(5-10)13-7-9(17)6-11(13)14/h2-5,9,12,17H,6-7H2,1H3
InChIKeySLOZGUVCUJRHMV-UHFFFAOYSA-N
XLogP0.63
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46468650
N-methyl-3-pyrrol-1-ylbenzenesulfonamide
CID 118078276
2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide
CID 168708498
3-(4-chloro-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168689837
3-(4-amino-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168701174
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
1-(4-propan-2-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708079
1-[2,6-di(propan-2-yl)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708084
4-sulfanyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 168710403
1-(3H-benzimidazol-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709953

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide (CID 168708383) is N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1cccc(N2CC(S)CC2=O)c1.
What is the InChIKey of N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is SLOZGUVCUJRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-12-18(15,16)10-4-2-3-8(5-10)13-7-9(17)6-11(13)14/h2-5,9,12,17H,6-7H2,1H3.
What are the key properties of N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide?
N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 286.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 168708383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).