2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

C11H17Cl3N2O3S — CID 120717314

IUPAC2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C11H16Cl2N2O3S.ClH/c1-18-8-7-14-5-6-15-19(16,17)10-4-2-3-9(12)11(10)13;/h2-4,14-15H,5-8H2,1H3;1H
InChIKeyDAQNPWKSCSCTQJ-UHFFFAOYSA-N
MW363.69 g/mol
LogP1.93
Rot. Bonds8

About 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120717314) has the molecular formula C11H17Cl3N2O3S and a molecular weight of 363.69 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120717314
Molecular FormulaC11H17Cl3N2O3S
Molecular Weight363.69 g/mol
Exact Mass362.00
IUPAC Name2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C11H16Cl2N2O3S.ClH/c1-18-8-7-14-5-6-15-19(16,17)10-4-2-3-9(12)11(10)13;/h2-4,14-15H,5-8H2,1H3;1H
InChIKeyDAQNPWKSCSCTQJ-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 120717735
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120717516
N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717968
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120717314) is 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is DAQNPWKSCSCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O3S.ClH/c1-18-8-7-14-5-6-15-19(16,17)10-4-2-3-9(12)11(10)13;/h2-4,14-15H,5-8H2,1H3;1H.
What are the key properties of 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 363.69 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).