4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

C9H14Cl2N2O2S — CID 119972887

IUPAC4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H13ClN2O2S.ClH/c1-11-6-7-12-15(13,14)9-4-2-8(10)3-5-9;/h2-5,11-12H,6-7H2,1H3;1H
InChIKeyALESEALYJQYFAQ-UHFFFAOYSA-N
MW285.20 g/mol
LogP1.26
Rot. Bonds5

About 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119972887) has the molecular formula C9H14Cl2N2O2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID119972887
Molecular FormulaC9H14Cl2N2O2S
Molecular Weight285.20 g/mol
Exact Mass284.02
IUPAC Name4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H13ClN2O2S.ClH/c1-11-6-7-12-15(13,14)9-4-2-8(10)3-5-9;/h2-5,11-12H,6-7H2,1H3;1H
InChIKeyALESEALYJQYFAQ-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 4122196
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride
CID 119973213
2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 62656822
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (CID 119972887) is 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is CNCCNS(=O)(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is ALESEALYJQYFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S.ClH/c1-11-6-7-12-15(13,14)9-4-2-8(10)3-5-9;/h2-5,11-12H,6-7H2,1H3;1H.
What are the key properties of 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 285.20 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119972887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).