CID 23206755

C20H27N2O6PS — CID 23206755

IUPAC—
SMILESCCOc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCN)c1)C(C)(C)P(=O)=O
InChIInChI=1S/C20H27N2O6PS/c1-5-27-18-8-6-7-9-19(18)30(25,26)22(20(3,4)29(23)24)16-12-15(2)13-17(14-16)28-11-10-21/h6-9,12-14H,5,10-11,21H2,1-4H3
InChIKeyAODHREQYVCUYMH-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.84
Rot. Bonds10

About CID 23206755

CID 23206755 (PubChem CID 23206755) has the molecular formula C20H27N2O6PS and a molecular weight of 454.49 g/mol.

Molecular Properties

Compound NameCID 23206755
PubChem CID23206755
Molecular FormulaC20H27N2O6PS
Molecular Weight454.49 g/mol
Exact Mass454.13
IUPAC Name—
SMILESCCOc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCN)c1)C(C)(C)P(=O)=O
InChIInChI=1S/C20H27N2O6PS/c1-5-27-18-8-6-7-9-19(18)30(25,26)22(20(3,4)29(23)24)16-12-15(2)13-17(14-16)28-11-10-21/h6-9,12-14H,5,10-11,21H2,1-4H3
InChIKeyAODHREQYVCUYMH-UHFFFAOYSA-N
XLogP3.84
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 23206755 with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[2-[methyl-[3-methyl-5-[2-[(2,3,5,6-tetrachloro-4-pyridinyl)amino]ethoxy]phenyl]sulfamoyl]phenoxy]acetate
CID 139697764
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980
CID 70122387
CID 70122387
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544844
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
2-ethoxy-N,N,4-trimethylbenzenesulfonamide
CID 91758576
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711
N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide
CID 28755982

Frequently Asked Questions

What is the IUPAC name of CID 23206755?
The IUPAC name of CID 23206755 (CID 23206755) is not available.
What is the SMILES notation for CID 23206755?
The canonical SMILES for CID 23206755 is CCOc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCN)c1)C(C)(C)P(=O)=O.
What is the InChIKey of CID 23206755?
The InChIKey is AODHREQYVCUYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N2O6PS/c1-5-27-18-8-6-7-9-19(18)30(25,26)22(20(3,4)29(23)24)16-12-15(2)13-17(14-16)28-11-10-21/h6-9,12-14H,5,10-11,21H2,1-4H3.
What are the key properties of CID 23206755?
CID 23206755 has a molecular weight of 454.49 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23206755 is sourced from PubChem (CID 23206755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).