4-(4-methylpiperazin-1-yl)sulfonylaniline

C11H17N3O2S — CID 567261

IUPAC4-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKeyYEKKOBZSGMPECJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.20
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)sulfonylaniline

4-(4-methylpiperazin-1-yl)sulfonylaniline (PubChem CID 567261) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)sulfonylaniline
PubChem CID567261
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKeyYEKKOBZSGMPECJ-UHFFFAOYSA-N
XLogP0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonylaniline (CID 567261) is 4-(4-methylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)sulfonylaniline is CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)sulfonylaniline?
The InChIKey is YEKKOBZSGMPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)sulfonylaniline?
4-(4-methylpiperazin-1-yl)sulfonylaniline has a molecular weight of 255.34 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 567261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).