5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide

C10H15ClN2O2S — CID 62659311

IUPAC5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C10H15ClN2O2S/c1-8-3-4-9(11)7-10(8)16(14,15)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyMFALXANTDGUAFQ-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.15
Rot. Bonds5

About 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide

5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 62659311) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID62659311
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C10H15ClN2O2S/c1-8-3-4-9(11)7-10(8)16(14,15)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyMFALXANTDGUAFQ-UHFFFAOYSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.15
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

5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 62659311) is 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is MFALXANTDGUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-8-3-4-9(11)7-10(8)16(14,15)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62659311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).