2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid

C9H11NO5S — CID 114331325

IUPAC2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C9H11NO5S/c11-8-3-1-7(2-4-8)5-10-16(14,15)6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeyGIENBFDXBVNBNF-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.10
Rot. Bonds5

About 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid

2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid (PubChem CID 114331325) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid
PubChem CID114331325
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C9H11NO5S/c11-8-3-1-7(2-4-8)5-10-16(14,15)6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeyGIENBFDXBVNBNF-UHFFFAOYSA-N
XLogP-0.10
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 81091134
2-[(3-bromophenyl)methylsulfamoyl]acetic acid
CID 61401339
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide
CID 115753665
methyl 2-(benzylsulfamoyl)acetate
CID 130159397
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
3-[4-[(ethylsulfonylamino)methyl]anilino]-3-oxopropanoic acid
CID 21074179
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
CID 163373715
2-[4-[[(2,6-dimethylphenyl)methylsulfonylamino]methyl]phenyl]acetic acid
CID 167851701

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid (CID 114331325) is 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCc1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid?
The InChIKey is GIENBFDXBVNBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c11-8-3-1-7(2-4-8)5-10-16(14,15)6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13).
What are the key properties of 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid?
2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid has a molecular weight of 245.26 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 114331325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).