N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide

C10H15NO5S2 — CID 81434079

IUPACN-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C10H15NO5S2/c1-7(2)18(15,16)11-9-6-8(17(3,13)14)4-5-10(9)12/h4-7,11-12H,1-3H3
InChIKeyCAYBUYGQLANWIE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.95
Rot. Bonds4

About N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide

N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide (PubChem CID 81434079) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide
PubChem CID81434079
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC NameN-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C10H15NO5S2/c1-7(2)18(15,16)11-9-6-8(17(3,13)14)4-5-10(9)12/h4-7,11-12H,1-3H3
InChIKeyCAYBUYGQLANWIE-UHFFFAOYSA-N
XLogP0.95
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide
CID 81434171
N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide
CID 64794598
5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 81421805
2-[(2-methyl-5-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 61454449
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576
N-(2-hydroxy-5-methylsulfonylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 81422171
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
N-(2-hydroxy-5-methylsulfonylphenyl)-4-(propan-2-ylamino)butanamide
CID 81422923
(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 104901321
3-hydroxy-4-(propan-2-ylsulfonylamino)benzoic acid
CID 60858137
N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81433795
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-4-methylsulfanylbutanamide
CID 104908842

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide (CID 81434079) is N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide?
The InChIKey is CAYBUYGQLANWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-7(2)18(15,16)11-9-6-8(17(3,13)14)4-5-10(9)12/h4-7,11-12H,1-3H3.
What are the key properties of N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide?
N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylsulfonylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 81434079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).