5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide

C11H16N4O3S — CID 106183083

IUPAC5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCc1c(NC2CNC(=O)C2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N4O3S/c1-6-9(15-8-4-11(16)14-5-8)2-7(12)3-10(6)19(13,17)18/h2-3,8,15H,4-5,12H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyDFIABNXVQBQSIR-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.47
Rot. Bonds3

About 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide

5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide (PubChem CID 106183083) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
PubChem CID106183083
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCc1c(NC2CNC(=O)C2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N4O3S/c1-6-9(15-8-4-11(16)14-5-8)2-7(12)3-10(6)19(13,17)18/h2-3,8,15H,4-5,12H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyDFIABNXVQBQSIR-UHFFFAOYSA-N
XLogP-0.47
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
4-(4-amino-2-methylanilino)pyrrolidin-2-one
CID 106183059
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
CID 106183183
5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide
CID 79896483
5-amino-2-methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 79901828
4-(4-amino-2-chloroanilino)pyrrolidin-2-one
CID 106182668
5-amino-2-methyl-3-[(2-methylcyclohexyl)amino]benzenesulfonamide
CID 79896994
2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 112674906
4-(2-amino-4,5-dimethoxyanilino)pyrrolidin-2-one
CID 114155142
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183085
4-(3-amino-5-methoxyanilino)pyrrolidin-2-one
CID 106183164

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide (CID 106183083) is 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide is Cc1c(NC2CNC(=O)C2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The InChIKey is DFIABNXVQBQSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-6-9(15-8-4-11(16)14-5-8)2-7(12)3-10(6)19(13,17)18/h2-3,8,15H,4-5,12H2,1H3,(H,14,16)(H2,13,17,18).
What are the key properties of 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 106183083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).