4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide

C16H21ClN2O5S — CID 25040766

IUPAC4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21ClN2O5S/c17-13-1-3-14(4-2-13)25(21,22)18-8-5-15(20)19-9-6-16(7-10-19)23-11-12-24-16/h1-4,18H,5-12H2
InChIKeyLSVNYKGQVBGJAU-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.37
Rot. Bonds5

About 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide

4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 25040766) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID25040766
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21ClN2O5S/c17-13-1-3-14(4-2-13)25(21,22)18-8-5-15(20)19-9-6-16(7-10-19)23-11-12-24-16/h1-4,18H,5-12H2
InChIKeyLSVNYKGQVBGJAU-UHFFFAOYSA-N
XLogP1.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide (CID 25040766) is 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is LSVNYKGQVBGJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c17-13-1-3-14(4-2-13)25(21,22)18-8-5-15(20)19-9-6-16(7-10-19)23-11-12-24-16/h1-4,18H,5-12H2.
What are the key properties of 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide?
4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 388.87 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 25040766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).