3-(4-sulfamoylphenyl)propanoate

C9H10NO4S- — CID 7210839

IUPAC3-(4-sulfamoylphenyl)propanoate
SMILESNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1
InChIInChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)/p-1
InChIKeyJUEONDBIBADVGD-UHFFFAOYSA-M
MW228.25 g/mol
LogP-0.98
Rot. Bonds4

About 3-(4-sulfamoylphenyl)propanoate

3-(4-sulfamoylphenyl)propanoate (PubChem CID 7210839) has the molecular formula C9H10NO4S- and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(4-sulfamoylphenyl)propanoate.

Molecular Properties

Compound Name3-(4-sulfamoylphenyl)propanoate
PubChem CID7210839
Molecular FormulaC9H10NO4S-
Molecular Weight228.25 g/mol
Exact Mass228.03
IUPAC Name3-(4-sulfamoylphenyl)propanoate
SMILESNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1
InChIInChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)/p-1
InChIKeyJUEONDBIBADVGD-UHFFFAOYSA-M
XLogP-0.98
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Sulfamoylphenyl)propanoic acid
CID 3161908
Ethyl 3-[4-(aminosulfonyl)phenyl]propanoate
CID 16122582
3-[4-(Methylsulfonyl)phenyl]propanoic acid
CID 2736960
2-(4-Sulfamoylphenyl)acetic acid
CID 6483854
2-(4-(Fluorosulfonyl)phenyl)acetic acid
CID 308772
2-(4-(Chlorosulfonyl)phenyl)acetic acid
CID 2735819
3-[4-(ethylsulfamoyl)phenyl]propanoic Acid
CID 2223404
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-nonanoic acid 2-(4-sulfamoyl-phenyl)-ethyl ester
CID 10841917
2-Propyl-pentanoic acid 2-(4-sulfamoyl-phenyl)-ethyl ester
CID 11782389
Methyl 6-{[(4-methylphenyl)sulfonyl]oxy}hexanoate
CID 357797
3-(4-Sulfamoylphenyl)propyl acetate
CID 15707357
3-[4-(Chlorosulfonyl)phenyl]propanoic acid
CID 2757915

Frequently Asked Questions

What is the IUPAC name of 3-(4-sulfamoylphenyl)propanoate?
The IUPAC name of 3-(4-sulfamoylphenyl)propanoate (CID 7210839) is 3-(4-sulfamoylphenyl)propanoate.
What is the SMILES notation for 3-(4-sulfamoylphenyl)propanoate?
The canonical SMILES for 3-(4-sulfamoylphenyl)propanoate is NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1.
What is the InChIKey of 3-(4-sulfamoylphenyl)propanoate?
The InChIKey is JUEONDBIBADVGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)/p-1.
What are the key properties of 3-(4-sulfamoylphenyl)propanoate?
3-(4-sulfamoylphenyl)propanoate has a molecular weight of 228.25 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-sulfamoylphenyl)propanoate is sourced from PubChem (CID 7210839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).