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

C13H22N4O2S — CID 60924583

IUPAC4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C13H22N4O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-4-2-12(14)3-5-13/h2-5,15H,6-11,14H2,1H3
InChIKeyYBBJFAQEKIYHNL-UHFFFAOYSA-N
MW298.41 g/mol
LogP-0.21
Rot. Bonds5

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

4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 60924583) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID60924583
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C13H22N4O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-4-2-12(14)3-5-13/h2-5,15H,6-11,14H2,1H3
InChIKeyYBBJFAQEKIYHNL-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

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
4-(bromomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 65481400
3-amino-4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924809
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924476
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 47812632
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzenesulfonamide
CID 155680865
3-chloro-4-cyano-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 51115598
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
4-(ethylamino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62641660
4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide
CID 22850910

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 60924583) is 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is CN1CCN(CCNS(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is YBBJFAQEKIYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-4-2-12(14)3-5-13/h2-5,15H,6-11,14H2,1H3.
What are the key properties of 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
4-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 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60924583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).