methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate

C23H31NO5S — CID 139616851

IUPACmethyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
SMILESCOC(=O)CCCCCCCC(NS(=O)(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H31NO5S/c1-28-20-15-17-21(18-16-20)30(26,27)24-22(19-11-7-6-8-12-19)13-9-4-3-5-10-14-23(25)29-2/h6-8,11-12,15-18,22,24H,3-5,9-10,13-14H2,1-2H3
InChIKeyUZXRSUAKPSAVDM-UHFFFAOYSA-N
MW433.57 g/mol
LogP4.62
Rot. Bonds13

About methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate

methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate (PubChem CID 139616851) has the molecular formula C23H31NO5S and a molecular weight of 433.57 g/mol. Its IUPAC name is methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate.

Molecular Properties

Compound Namemethyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
PubChem CID139616851
Molecular FormulaC23H31NO5S
Molecular Weight433.57 g/mol
Exact Mass433.19
IUPAC Namemethyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
SMILESCOC(=O)CCCCCCCC(NS(=O)(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H31NO5S/c1-28-20-15-17-21(18-16-20)30(26,27)24-22(19-11-7-6-8-12-19)13-9-4-3-5-10-14-23(25)29-2/h6-8,11-12,15-18,22,24H,3-5,9-10,13-14H2,1-2H3
InChIKeyUZXRSUAKPSAVDM-UHFFFAOYSA-N
XLogP4.62
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765
methyl 7-(4-fluorophenyl)-7-[(4-methoxyphenyl)sulfonylamino]heptanoate
CID 139616866
methyl 9-[(4-fluorophenyl)sulfonylamino]-9-phenylnonanoate
CID 139616966
methyl 9-[(3-methylphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616897
methyl 8-[(2-methylphenyl)sulfonylamino]-8-phenyloctanoate
CID 139616772
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]heptyl]phenyl]butanoate
CID 23353836
methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]phenyl]butanoate
CID 67579791

Frequently Asked Questions

What is the IUPAC name of methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate?
The IUPAC name of methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate (CID 139616851) is methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate.
What is the SMILES notation for methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate?
The canonical SMILES for methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate is COC(=O)CCCCCCCC(NS(=O)(=O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate?
The InChIKey is UZXRSUAKPSAVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5S/c1-28-20-15-17-21(18-16-20)30(26,27)24-22(19-11-7-6-8-12-19)13-9-4-3-5-10-14-23(25)29-2/h6-8,11-12,15-18,22,24H,3-5,9-10,13-14H2,1-2H3.
What are the key properties of methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate?
methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate has a molecular weight of 433.57 g/mol, XLogP of 4.62, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate is sourced from PubChem (CID 139616851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).