6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide

C14H18ClN3O4S — CID 13473189

IUPAC6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESCCN(CC)CCN1C(=O)c2cc(Cl)c(S(N)(=O)=O)cc2C1=O
InChIInChI=1S/C14H18ClN3O4S/c1-3-17(4-2)5-6-18-13(19)9-7-11(15)12(23(16,21)22)8-10(9)14(18)20/h7-8H,3-6H2,1-2H3,(H2,16,21,22)
InChIKeyXDDZVTCXELTCSE-UHFFFAOYSA-N
MW359.84 g/mol
LogP0.93
Rot. Bonds6

About 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide

6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 13473189) has the molecular formula C14H18ClN3O4S and a molecular weight of 359.84 g/mol. Its IUPAC name is 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide
PubChem CID13473189
Molecular FormulaC14H18ClN3O4S
Molecular Weight359.84 g/mol
Exact Mass359.07
IUPAC Name6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESCCN(CC)CCN1C(=O)c2cc(Cl)c(S(N)(=O)=O)cc2C1=O
InChIInChI=1S/C14H18ClN3O4S/c1-3-17(4-2)5-6-18-13(19)9-7-11(15)12(23(16,21)22)8-10(9)14(18)20/h7-8H,3-6H2,1-2H3,(H2,16,21,22)
InChIKeyXDDZVTCXELTCSE-UHFFFAOYSA-N
XLogP0.93
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide (CID 13473189) is 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide is CCN(CC)CCN1C(=O)c2cc(Cl)c(S(N)(=O)=O)cc2C1=O.
What is the InChIKey of 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is XDDZVTCXELTCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4S/c1-3-17(4-2)5-6-18-13(19)9-7-11(15)12(23(16,21)22)8-10(9)14(18)20/h7-8H,3-6H2,1-2H3,(H2,16,21,22).
What are the key properties of 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide?
6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 359.84 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 13473189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).