4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline

C11H16ClN3O2S — CID 54888361

IUPAC4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCN1CCN(S(=O)(=O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C11H16ClN3O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKeyHEBVWGXBJKIESD-UHFFFAOYSA-N
MW289.79 g/mol
LogP0.86
Rot. Bonds2

About 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline

4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline (PubChem CID 54888361) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
PubChem CID54888361
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCN1CCN(S(=O)(=O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C11H16ClN3O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKeyHEBVWGXBJKIESD-UHFFFAOYSA-N
XLogP0.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Idra 21
CID 3688
DU 717
CID 43148
2-Amino-5-chlorobenzenesulphonamide
CID 12295550
Tocris-1219
CID 6604830
1-(Benzenesulfonyl)-4-(4-chlorophenyl)piperazine
CID 4383280
5-amino-2-chloro-N,N-diethylbenzene-1-sulfonamide
CID 3779308
7-Chloro-4-ethyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732616
2-amino-5-chloro-N-methylbenzenesulfonamide
CID 9834417
2-amino-5-chloro-N-ethylbenzenesulfonamide
CID 9856098
5-Chloro-2-(methylamino)benzenesulfonamide
CID 44590431
5-Chloro-2-[(1-methylethyl)amino]benzenesulfonamide
CID 44590434
2-Chloro-5-[(4-methylpiperazin-1-yl)sulfonyl]aniline
CID 4962772

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline (CID 54888361) is 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline is CN1CCN(S(=O)(=O)c2cc(Cl)ccc2N)CC1.
What is the InChIKey of 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The InChIKey is HEBVWGXBJKIESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline?
4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline has a molecular weight of 289.79 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 54888361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).