2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium

C10H16ClN2O2S+ — CID 4122196

IUPAC2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3/p+1
InChIKeyZEIRXYXCGPDADI-UHFFFAOYSA-O
MW263.77 g/mol
LogP-0.24
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium

2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium (PubChem CID 4122196) has the molecular formula C10H16ClN2O2S+ and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
PubChem CID4122196
Molecular FormulaC10H16ClN2O2S+
Molecular Weight263.77 g/mol
Exact Mass263.06
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3/p+1
InChIKeyZEIRXYXCGPDADI-UHFFFAOYSA-O
XLogP-0.24
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716767
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
2-[(2,6-dichlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 2128469
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrrol-2-ylmethyl)ethanamine oxide
CID 101116923
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716763
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium (CID 4122196) is 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium is C[NH+](C)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium?
The InChIKey is ZEIRXYXCGPDADI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15ClN2O2S/c1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3/p+1.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium?
2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium has a molecular weight of 263.77 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium is sourced from PubChem (CID 4122196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).