N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide

C11H17NO4S — CID 118472528

IUPACN-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NOCC(C)(C)O)cc1
InChIInChI=1S/C11H17NO4S/c1-9-4-6-10(7-5-9)17(14,15)12-16-8-11(2,3)13/h4-7,12-13H,8H2,1-3H3
InChIKeyAHBOZYCSLBCEPR-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.98
Rot. Bonds5

About N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide

N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide (PubChem CID 118472528) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide
PubChem CID118472528
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NOCC(C)(C)O)cc1
InChIInChI=1S/C11H17NO4S/c1-9-4-6-10(7-5-9)17(14,15)12-16-8-11(2,3)13/h4-7,12-13H,8H2,1-3H3
InChIKeyAHBOZYCSLBCEPR-UHFFFAOYSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
4-methyl-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643099
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
[2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-methylphenyl)sulfonyloxypropyl] acetate
CID 6431702
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
3-methoxy-3-methyl-2-(4-methylphenyl)sulfonylbutan-2-ol
CID 175302251
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
2-(2-hydroxypropan-2-ylamino)propan-2-ol;4-methylbenzenesulfonic acid
CID 174628653
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide (CID 118472528) is N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NOCC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide?
The InChIKey is AHBOZYCSLBCEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-9-4-6-10(7-5-9)17(14,15)12-16-8-11(2,3)13/h4-7,12-13H,8H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide?
N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118472528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).