5-hydroxy-N,N,2-trimethylbenzenesulfonamide

C9H13NO3S — CID 21127023

IUPAC5-hydroxy-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H13NO3S/c1-7-4-5-8(11)6-9(7)14(12,13)10(2)3/h4-6,11H,1-3H3
InChIKeyGVMDRNZTRHNWRB-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.95
Rot. Bonds2

About 5-hydroxy-N,N,2-trimethylbenzenesulfonamide

5-hydroxy-N,N,2-trimethylbenzenesulfonamide (PubChem CID 21127023) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 5-hydroxy-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-hydroxy-N,N,2-trimethylbenzenesulfonamide
PubChem CID21127023
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name5-hydroxy-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H13NO3S/c1-7-4-5-8(11)6-9(7)14(12,13)10(2)3/h4-6,11H,1-3H3
InChIKeyGVMDRNZTRHNWRB-UHFFFAOYSA-N
XLogP0.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
CID 155817745
(5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid
CID 67789350
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
CID 81171897
(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid
CID 67789240
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-hydroxy-N,N,2-trimethylbenzenesulfonamide (CID 21127023) is 5-hydroxy-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-hydroxy-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-hydroxy-N,N,2-trimethylbenzenesulfonamide is Cc1ccc(O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-hydroxy-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is GVMDRNZTRHNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-4-5-8(11)6-9(7)14(12,13)10(2)3/h4-6,11H,1-3H3.
What are the key properties of 5-hydroxy-N,N,2-trimethylbenzenesulfonamide?
5-hydroxy-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 21127023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).