3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride

C11H18Cl2N2O2S2 — CID 120708827

IUPAC3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(SC)c(Cl)c1.Cl
InChIInChI=1S/C11H17ClN2O2S2.ClH/c1-3-13-6-7-14-18(15,16)9-4-5-11(17-2)10(12)8-9;/h4-5,8,13-14H,3,6-7H2,1-2H3;1H
InChIKeyNJJSYLAWDUIJTJ-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.37
Rot. Bonds7

About 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride

3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride (PubChem CID 120708827) has the molecular formula C11H18Cl2N2O2S2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride
PubChem CID120708827
Molecular FormulaC11H18Cl2N2O2S2
Molecular Weight345.32 g/mol
Exact Mass344.02
IUPAC Name3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(SC)c(Cl)c1.Cl
InChIInChI=1S/C11H17ClN2O2S2.ClH/c1-3-13-6-7-14-18(15,16)9-4-5-11(17-2)10(12)8-9;/h4-5,8,13-14H,3,6-7H2,1-2H3;1H
InChIKeyNJJSYLAWDUIJTJ-UHFFFAOYSA-N
XLogP2.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.37
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

3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
N-(3-aminobutyl)-3-chloro-4-methylsulfanylbenzenesulfonamide
CID 120708558
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120709208
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 120708847
N-[2-(ethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119973711
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride (CID 120708827) is 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc(SC)c(Cl)c1.Cl.
What is the InChIKey of 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride?
The InChIKey is NJJSYLAWDUIJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2.ClH/c1-3-13-6-7-14-18(15,16)9-4-5-11(17-2)10(12)8-9;/h4-5,8,13-14H,3,6-7H2,1-2H3;1H.
What are the key properties of 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride?
3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride has a molecular weight of 345.32 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120708827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).