6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C12H17N3O3S — CID 106180960

IUPAC6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC2CNC(=O)C2)c1C
InChIInChI=1S/C12H17N3O3S/c1-7-3-4-10(13)12(8(7)2)19(17,18)15-9-5-11(16)14-6-9/h3-4,9,15H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyZYVVVZVRRFBPNW-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.05
Rot. Bonds3

About 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 106180960) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID106180960
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC2CNC(=O)C2)c1C
InChIInChI=1S/C12H17N3O3S/c1-7-3-4-10(13)12(8(7)2)19(17,18)15-9-5-11(16)14-6-9/h3-4,9,15H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyZYVVVZVRRFBPNW-UHFFFAOYSA-N
XLogP0.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360421
4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 79589547
3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181167
2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154874
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
CID 107213458
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide
CID 114628511
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 106180960) is 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NC2CNC(=O)C2)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is ZYVVVZVRRFBPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7-3-4-10(13)12(8(7)2)19(17,18)15-9-5-11(16)14-6-9/h3-4,9,15H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106180960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).