2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

C12H18Cl2N2O2S — CID 8716586

IUPAC2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-3-16(4-2)9-8-15-19(17,18)11-7-5-6-10(13)12(11)14/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyJAZTYLIJXDHJFA-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.61
Rot. Bonds7

About 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 8716586) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID8716586
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-3-16(4-2)9-8-15-19(17,18)11-7-5-6-10(13)12(11)14/h5-7,15H,3-4,8-9H2,1-2H3
InChIKeyJAZTYLIJXDHJFA-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
CID 103836681
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 8716586) is 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is JAZTYLIJXDHJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-3-16(4-2)9-8-15-19(17,18)11-7-5-6-10(13)12(11)14/h5-7,15H,3-4,8-9H2,1-2H3.
What are the key properties of 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 8716586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).