2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

C13H22N4O2S — CID 60924476

IUPAC2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-5-3-2-4-12(13)14/h2-5,15H,6-11,14H2,1H3
InChIKeyQNJWHOXRVFRABN-UHFFFAOYSA-N
MW298.41 g/mol
LogP-0.21
Rot. Bonds5

About 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 60924476) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID60924476
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-5-3-2-4-12(13)14/h2-5,15H,6-11,14H2,1H3
InChIKeyQNJWHOXRVFRABN-UHFFFAOYSA-N
XLogP-0.21
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
2-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]aniline
CID 82891510
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
2-amino-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethyl]benzenesulfonamide;hydrochloride
CID 22990697
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
3-amino-4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924809
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
3-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 115993592
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 60924476) is 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is CN1CCN(CCNS(=O)(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is QNJWHOXRVFRABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-5-3-2-4-12(13)14/h2-5,15H,6-11,14H2,1H3.
What are the key properties of 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60924476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).