3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide

C15H19ClN2O3S — CID 129481910

IUPAC3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC(=O)NC12CCC2
InChIInChI=1S/C15H19ClN2O3S/c1-10-11(16)4-2-5-12(10)22(20,21)18-13-6-7-14(19)17-15(13)8-3-9-15/h2,4-5,13,18H,3,6-9H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyUAJWNNVUJFTHPA-ZDUSSCGKSA-N
MW342.85 g/mol
LogP2.13
Rot. Bonds3

About 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide

3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide (PubChem CID 129481910) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
PubChem CID129481910
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC(=O)NC12CCC2
InChIInChI=1S/C15H19ClN2O3S/c1-10-11(16)4-2-5-12(10)22(20,21)18-13-6-7-14(19)17-15(13)8-3-9-15/h2,4-5,13,18H,3,6-9H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyUAJWNNVUJFTHPA-ZDUSSCGKSA-N
XLogP2.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide (CID 129481910) is 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC(=O)NC12CCC2.
What is the InChIKey of 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide?
The InChIKey is UAJWNNVUJFTHPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-10-11(16)4-2-5-12(10)22(20,21)18-13-6-7-14(19)17-15(13)8-3-9-15/h2,4-5,13,18H,3,6-9H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide has a molecular weight of 342.85 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide is sourced from PubChem (CID 129481910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).