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

C12H20Cl2N2O2S — CID 6602887

IUPAC4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H19ClN2O2S.ClH/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12;/h5-8,14H,3-4,9-10H2,1-2H3;1H
InChIKeyUJCUNQVYPAUGQR-UHFFFAOYSA-N
MW327.28 g/mol
LogP2.38
Rot. Bonds7

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

4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 6602887) has the molecular formula C12H20Cl2N2O2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID6602887
Molecular FormulaC12H20Cl2N2O2S
Molecular Weight327.28 g/mol
Exact Mass326.06
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H19ClN2O2S.ClH/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12;/h5-8,14H,3-4,9-10H2,1-2H3;1H
InChIKeyUJCUNQVYPAUGQR-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 6602887) is 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride is CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is UJCUNQVYPAUGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S.ClH/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12;/h5-8,14H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride?
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 327.28 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 6602887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).