4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide

C11H17ClN4O2S — CID 83013225

IUPAC4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C11H17ClN4O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(13)8-10(11)12/h2-3,8,14H,4-7,13H2,1H3
InChIKeyBQEGYDWEMKZLDY-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.36
Rot. Bonds3

About 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide

4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 83013225) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID83013225
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC Name4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C11H17ClN4O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(13)8-10(11)12/h2-3,8,14H,4-7,13H2,1H3
InChIKeyBQEGYDWEMKZLDY-UHFFFAOYSA-N
XLogP0.36
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.36
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

4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78909287
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514907
4-chloro-3-[(4-methylpiperazin-1-yl)sulfamoyl]benzenecarbothioamide
CID 83017427
2-chloro-5-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016262
2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83023744
4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012679
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-amino-2-chlorobenzenesulfonamide
CID 12533522
2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83013823
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 83013468

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 83013225) is 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide is CN1CCN(NS(=O)(=O)c2ccc(N)cc2Cl)CC1.
What is the InChIKey of 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is BQEGYDWEMKZLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(13)8-10(11)12/h2-3,8,14H,4-7,13H2,1H3.
What are the key properties of 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 83013225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).