2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid

C9H12N2O6S2 — CID 43696150

IUPAC2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
SMILESCNS(=O)(=O)c1ccccc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H12N2O6S2/c1-10-19(16,17)8-5-3-2-4-7(8)11-18(14,15)6-9(12)13/h2-5,10-11H,6H2,1H3,(H,12,13)
InChIKeyDCUMGPRNQAYGQZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP-0.58
Rot. Bonds6

About 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid

2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid (PubChem CID 43696150) has the molecular formula C9H12N2O6S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
PubChem CID43696150
Molecular FormulaC9H12N2O6S2
Molecular Weight308.34 g/mol
Exact Mass308.01
IUPAC Name2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
SMILESCNS(=O)(=O)c1ccccc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H12N2O6S2/c1-10-19(16,17)8-5-3-2-4-7(8)11-18(14,15)6-9(12)13/h2-5,10-11H,6H2,1H3,(H,12,13)
InChIKeyDCUMGPRNQAYGQZ-UHFFFAOYSA-N
XLogP-0.58
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Amino-benzenesulfonylamino)-acetic acid
CID 412201
2-Amino-3-(2-amino-benzenesulfonyl)-propionic acid
CID 18368983
S-(2-Aminophenyl)-L-cysteine S,S-dioxide
CID 10263849
2-(2-Nitrobenzenesulfonamido)acetic acid
CID 1210950
2-amino-N-methylbenzene-1-sulfonamide
CID 1132840
(3-Amino-benzenesulfonylamino)-acetic acid
CID 362688
(Acetato-kappaO)(2-amino-5-(aminosulfonyl)phenyl)mercury
CID 16684345
N-[(2-aminophenyl)sulfonyl]glycine
CID 13893029
N-((4-Aminophenyl)sulfonyl)-N-methylglycine
CID 46885633
(R)-2-Amino-3-(2-amino-benzenesulfonyl)-propionic acid
CID 44322835
Methyl 2-(4-aminobenzenesulfonamido)acetate
CID 7064001
2-(2-Aminobenzenesulfonamido)acetamide
CID 16794440

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid (CID 43696150) is 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid is CNS(=O)(=O)c1ccccc1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid?
The InChIKey is DCUMGPRNQAYGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6S2/c1-10-19(16,17)8-5-3-2-4-7(8)11-18(14,15)6-9(12)13/h2-5,10-11H,6H2,1H3,(H,12,13).
What are the key properties of 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid?
2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid has a molecular weight of 308.34 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43696150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).