3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

C12H19ClN2O2S — CID 8716577

IUPAC3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2O2S/c1-3-15(4-2)9-8-14-18(16,17)12-7-5-6-11(13)10-12/h5-7,10,14H,3-4,8-9H2,1-2H3
InChIKeyUKJNUXVAABMHNP-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.96
Rot. Bonds7

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

3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 8716577) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID8716577
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2O2S/c1-3-15(4-2)9-8-14-18(16,17)12-7-5-6-11(13)10-12/h5-7,10,14H,3-4,8-9H2,1-2H3
InChIKeyUKJNUXVAABMHNP-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 8716577) is 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is UKJNUXVAABMHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)9-8-14-18(16,17)12-7-5-6-11(13)10-12/h5-7,10,14H,3-4,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 8716577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).