2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide

C11H16N4O3S — CID 79466909

IUPAC2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1=O
InChIInChI=1S/C11H16N4O3S/c1-14-4-5-15(7-11(14)16)8-2-3-10(9(12)6-8)19(13,17)18/h2-3,6H,4-5,7,12H2,1H3,(H2,13,17,18)
InChIKeyAMXBYUWIBFRNAX-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.81
Rot. Bonds2

About 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide

2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide (PubChem CID 79466909) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
PubChem CID79466909
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1=O
InChIInChI=1S/C11H16N4O3S/c1-14-4-5-15(7-11(14)16)8-2-3-10(9(12)6-8)19(13,17)18/h2-3,6H,4-5,7,12H2,1H3,(H2,13,17,18)
InChIKeyAMXBYUWIBFRNAX-UHFFFAOYSA-N
XLogP-0.81
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide (CID 79466909) is 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide is CN1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1=O.
What is the InChIKey of 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide?
The InChIKey is AMXBYUWIBFRNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-14-4-5-15(7-11(14)16)8-2-3-10(9(12)6-8)19(13,17)18/h2-3,6H,4-5,7,12H2,1H3,(H2,13,17,18).
What are the key properties of 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide?
2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 79466909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).