[(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride

C8H12Cl2N2O2S — CID 18531761

IUPAC[(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride
SMILESC[NH+](C)NS(=O)(=O)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C8H11ClN2O2S.ClH/c1-11(2)10-14(12,13)8-5-3-7(9)4-6-8;/h3-6,10H,1-2H3;1H
InChIKeyPQWXKXRUWFZMEH-UHFFFAOYSA-N
MW271.17 g/mol
LogP-3.32
Rot. Bonds3

About [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride

[(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride (PubChem CID 18531761) has the molecular formula C8H12Cl2N2O2S and a molecular weight of 271.17 g/mol. Its IUPAC name is [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride.

Molecular Properties

Compound Name[(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride
PubChem CID18531761
Molecular FormulaC8H12Cl2N2O2S
Molecular Weight271.17 g/mol
Exact Mass270.00
IUPAC Name[(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride
SMILESC[NH+](C)NS(=O)(=O)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C8H11ClN2O2S.ClH/c1-11(2)10-14(12,13)8-5-3-7(9)4-6-8;/h3-6,10H,1-2H3;1H
InChIKeyPQWXKXRUWFZMEH-UHFFFAOYSA-N
XLogP-3.32
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 5-3.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 4122196
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride?
The IUPAC name of [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride (CID 18531761) is [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride.
What is the SMILES notation for [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride?
The canonical SMILES for [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride is C[NH+](C)NS(=O)(=O)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride?
The InChIKey is PQWXKXRUWFZMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S.ClH/c1-11(2)10-14(12,13)8-5-3-7(9)4-6-8;/h3-6,10H,1-2H3;1H.
What are the key properties of [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride?
[(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride has a molecular weight of 271.17 g/mol, XLogP of -3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride is sourced from PubChem (CID 18531761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).