3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C11H15N3O3S — CID 106181069

IUPAC3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1N
InChIInChI=1S/C11H15N3O3S/c1-7-2-3-9(5-10(7)12)18(16,17)14-8-4-11(15)13-6-8/h2-3,5,8,14H,4,6,12H2,1H3,(H,13,15)
InChIKeyTYIFYXNIWKATMZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.26
Rot. Bonds3

About 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 106181069) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID106181069
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1N
InChIInChI=1S/C11H15N3O3S/c1-7-2-3-9(5-10(7)12)18(16,17)14-8-4-11(15)13-6-8/h2-3,5,8,14H,4,6,12H2,1H3,(H,13,15)
InChIKeyTYIFYXNIWKATMZ-UHFFFAOYSA-N
XLogP-0.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.26
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-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181167
3-amino-4-nitro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106197698
6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180960
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373442
3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide
CID 125468124
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154874
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 106181069) is 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is TYIFYXNIWKATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-2-3-9(5-10(7)12)18(16,17)14-8-4-11(15)13-6-8/h2-3,5,8,14H,4,6,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 269.33 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106181069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).