3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid

C10H14N2O5S — CID 506093

IUPAC3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(C(=O)O)cc1C(O)CN
InChIInChI=1S/C10H14N2O5S/c1-18(16,17)12-8-3-2-6(10(14)15)4-7(8)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3,(H,14,15)
InChIKeyLOXCJQTVAQKLTJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.25
Rot. Bonds5

About 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid

3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid (PubChem CID 506093) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid
PubChem CID506093
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(C(=O)O)cc1C(O)CN
InChIInChI=1S/C10H14N2O5S/c1-18(16,17)12-8-3-2-6(10(14)15)4-7(8)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3,(H,14,15)
InChIKeyLOXCJQTVAQKLTJ-UHFFFAOYSA-N
XLogP-0.25
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
3-(methanesulfonamido)-4-propoxybenzoic acid
CID 110504278
3-bromo-4-[2-(methanesulfonamido)ethylamino]benzoic acid
CID 82801190
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
CID 10472595
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 49073210
3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoic acid
CID 108766490
3-amino-4-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814174
N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride
CID 159632042
3-hydroxy-4-(2-methylsulfonylethylsulfonylamino)benzoic acid
CID 63244820
3-(3-amino-1,2-dihydroxypropyl)-4-hydroxybenzoic acid
CID 170828381
3-(1-hydroxyethyl)-4-methylbenzoic acid
CID 83387982

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid (CID 506093) is 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid is CS(=O)(=O)Nc1ccc(C(=O)O)cc1C(O)CN.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid?
The InChIKey is LOXCJQTVAQKLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-18(16,17)12-8-3-2-6(10(14)15)4-7(8)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3,(H,14,15).
What are the key properties of 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid?
3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid has a molecular weight of 274.30 g/mol, XLogP of -0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxyethyl)-4-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 506093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).