2-(benzylsulfamoyl)acetic acid

C9H11NO4S — CID 28773962

IUPAC2-(benzylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C9H11NO4S/c11-9(12)7-15(13,14)10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKeyOSZWGEDXPQUNEM-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.19
Rot. Bonds5

About 2-(benzylsulfamoyl)acetic acid

2-(benzylsulfamoyl)acetic acid (PubChem CID 28773962) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(benzylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(benzylsulfamoyl)acetic acid
PubChem CID28773962
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-(benzylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C9H11NO4S/c11-9(12)7-15(13,14)10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKeyOSZWGEDXPQUNEM-UHFFFAOYSA-N
XLogP0.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mafenide Acetate
CID 25590
4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
2-(2-Phenylethenesulfonamido)acetic acid
CID 723005
[(Benzylsulfonyl)amino]acetic acid
CID 227303
2-(2-(4-Methylphenyl)ethenesulfonamido)acetic acid
CID 5916372
3-(2-Phenylethenesulfonamido)propanoic acid
CID 2132791
2-(Phenylmethanesulfonamido)propanoic acid
CID 4083565
4-(Styrylsulfonylamino)butyric acid
CID 5717798
N-benzylcyclopropanesulfonamide
CID 45497292
N-benzyl-1-phenylmethanesulfonamide
CID 669277
2-amino-N-benzylethane-1-sulfonamide hydrochloride
CID 21435852
4-Phenylmethanesulfonylamino-butyric acid
CID 1913032

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfamoyl)acetic acid?
The IUPAC name of 2-(benzylsulfamoyl)acetic acid (CID 28773962) is 2-(benzylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(benzylsulfamoyl)acetic acid?
The canonical SMILES for 2-(benzylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-(benzylsulfamoyl)acetic acid?
The InChIKey is OSZWGEDXPQUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c11-9(12)7-15(13,14)10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12).
What are the key properties of 2-(benzylsulfamoyl)acetic acid?
2-(benzylsulfamoyl)acetic acid has a molecular weight of 229.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfamoyl)acetic acid is sourced from PubChem (CID 28773962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).