8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C20H22ClN3O3S — CID 6737002

IUPAC8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cccc(Cl)c1S(=O)(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C20H22ClN3O3S/c1-15-6-5-9-17(21)18(15)28(26,27)23-12-10-20(11-13-23)19(25)22-14-24(20)16-7-3-2-4-8-16/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyIXRXULTVQBDDJS-UHFFFAOYSA-N
MW419.93 g/mol
LogP2.77
Rot. Bonds3

About 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 6737002) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID6737002
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cccc(Cl)c1S(=O)(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C20H22ClN3O3S/c1-15-6-5-9-17(21)18(15)28(26,27)23-12-10-20(11-13-23)19(25)22-14-24(20)16-7-3-2-4-8-16/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyIXRXULTVQBDDJS-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 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 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 6737002) is 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is Cc1cccc(Cl)c1S(=O)(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is IXRXULTVQBDDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-15-6-5-9-17(21)18(15)28(26,27)23-12-10-20(11-13-23)19(25)22-14-24(20)16-7-3-2-4-8-16/h2-9H,10-14H2,1H3,(H,22,25).
What are the key properties of 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 419.93 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 6737002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).