methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate

C17H19NO5S — CID 665700

IUPACmethyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate
SMILESCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S/c1-22-15-8-10-16(11-9-15)24(20,21)18(13-12-17(19)23-2)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeySVSPZYLXOPFLMW-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.45
Rot. Bonds7

About methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate

methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate (PubChem CID 665700) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate
PubChem CID665700
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate
SMILESCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S/c1-22-15-8-10-16(11-9-15)24(20,21)18(13-12-17(19)23-2)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeySVSPZYLXOPFLMW-UHFFFAOYSA-N
XLogP2.45
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methoxyphenyl)glycine
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N-[(4-methoxyphenyl)sulfonyl]-N-phenylglycine
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N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycine
CID 802604
4-Methoxy-N-[3-(4-phenyl-piperazin-1-yl)-1-methyl-propyl]-benzenesulfonamide
CID 42635572
N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
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{4-[4-(2-Fluoro-phenyl)-piperazine-1-sulfonyl]-phenoxy}-acetic acid methyl ester
CID 648182
N-(4-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)-N-methylacetamide
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CID 807924

Frequently Asked Questions

What is the IUPAC name of methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate?
The IUPAC name of methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate (CID 665700) is methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate.
What is the SMILES notation for methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate?
The canonical SMILES for methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate is COC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate?
The InChIKey is SVSPZYLXOPFLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-15-8-10-16(11-9-15)24(20,21)18(13-12-17(19)23-2)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3.
What are the key properties of methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate?
methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate has a molecular weight of 349.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(N-(4-methoxyphenyl)sulfonylanilino)propanoate is sourced from PubChem (CID 665700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).