2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid

C9H11NO5S — CID 43712124

IUPAC2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1cccc(CO)c1
InChIInChI=1S/C9H11NO5S/c11-5-7-2-1-3-8(4-7)10-16(14,15)6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeyNEXFUQVZCLVNBJ-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.01
Rot. Bonds5

About 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid

2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid (PubChem CID 43712124) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
PubChem CID43712124
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1cccc(CO)c1
InChIInChI=1S/C9H11NO5S/c11-5-7-2-1-3-8(4-7)10-16(14,15)6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeyNEXFUQVZCLVNBJ-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
2-chloro-N-[3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 107651406
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361772
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827
3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
CID 63254571
4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43712120
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
CID 43712925
methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
CID 55124931
2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
CID 54867388
3-[3-(prop-2-enylsulfonylamino)phenyl]propanoic acid
CID 115339509

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid (CID 43712124) is 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1cccc(CO)c1.
What is the InChIKey of 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid?
The InChIKey is NEXFUQVZCLVNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c11-5-7-2-1-3-8(4-7)10-16(14,15)6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13).
What are the key properties of 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid?
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid has a molecular weight of 245.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43712124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).