2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid

C10H11ClN2O5S2 — CID 104569457

IUPAC2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)CSCC(=O)O)c1
InChIInChI=1S/C10H11ClN2O5S2/c11-7-2-1-6(20(12,17)18)3-8(7)13-9(14)4-19-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyBTEDCNZGUPXMTF-UHFFFAOYSA-N
MW338.79 g/mol
LogP0.74
Rot. Bonds6

About 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid

2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 104569457) has the molecular formula C10H11ClN2O5S2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
PubChem CID104569457
Molecular FormulaC10H11ClN2O5S2
Molecular Weight338.79 g/mol
Exact Mass337.98
IUPAC Name2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)CSCC(=O)O)c1
InChIInChI=1S/C10H11ClN2O5S2/c11-7-2-1-6(20(12,17)18)3-8(7)13-9(14)4-19-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyBTEDCNZGUPXMTF-UHFFFAOYSA-N
XLogP0.74
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 115575110
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
2-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 112682889
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
2-[2-(2-chloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569778
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
N-(2-chloro-5-sulfamoylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63563292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid (CID 104569457) is 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid is NS(=O)(=O)c1ccc(Cl)c(NC(=O)CSCC(=O)O)c1.
What is the InChIKey of 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is BTEDCNZGUPXMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S2/c11-7-2-1-6(20(12,17)18)3-8(7)13-9(14)4-19-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)(H2,12,17,18).
What are the key properties of 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 338.79 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104569457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).