2-(4-sulfamoylphenyl)sulfanylacetic acid

C8H9NO4S2 — CID 43453735

IUPAC2-(4-sulfamoylphenyl)sulfanylacetic acid
SMILESNS(=O)(=O)c1ccc(SCC(=O)O)cc1
InChIInChI=1S/C8H9NO4S2/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyWSYWEZGFWBZGEL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.51
Rot. Bonds4

About 2-(4-sulfamoylphenyl)sulfanylacetic acid

2-(4-sulfamoylphenyl)sulfanylacetic acid (PubChem CID 43453735) has the molecular formula C8H9NO4S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4-sulfamoylphenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-sulfamoylphenyl)sulfanylacetic acid
PubChem CID43453735
Molecular FormulaC8H9NO4S2
Molecular Weight247.30 g/mol
Exact Mass247.00
IUPAC Name2-(4-sulfamoylphenyl)sulfanylacetic acid
SMILESNS(=O)(=O)c1ccc(SCC(=O)O)cc1
InChIInChI=1S/C8H9NO4S2/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKeyWSYWEZGFWBZGEL-UHFFFAOYSA-N
XLogP0.51
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(carboxymethylsulfanyl)phenyl]disulfanyl]phenyl]sulfanylacetic acid
CID 54542120
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
(E)-4-oxo-4-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylanilino]but-2-enoic acid
CID 22786162
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide
CID 24642899
2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146576
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 55439516
4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide
CID 54911444
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
2-(4-pyrrolidin-1-ylphenyl)sulfanylacetic acid
CID 139572185

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenyl)sulfanylacetic acid?
The IUPAC name of 2-(4-sulfamoylphenyl)sulfanylacetic acid (CID 43453735) is 2-(4-sulfamoylphenyl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-sulfamoylphenyl)sulfanylacetic acid?
The canonical SMILES for 2-(4-sulfamoylphenyl)sulfanylacetic acid is NS(=O)(=O)c1ccc(SCC(=O)O)cc1.
What is the InChIKey of 2-(4-sulfamoylphenyl)sulfanylacetic acid?
The InChIKey is WSYWEZGFWBZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S2/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13).
What are the key properties of 2-(4-sulfamoylphenyl)sulfanylacetic acid?
2-(4-sulfamoylphenyl)sulfanylacetic acid has a molecular weight of 247.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenyl)sulfanylacetic acid is sourced from PubChem (CID 43453735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).