N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide

C13H21NO4S — CID 39389642

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C13H21NO4S/c1-10(2)18-11-5-7-12(8-6-11)19(16,17)14-13(3,4)9-15/h5-8,10,14-15H,9H2,1-4H3
InChIKeyJMQSWKJWZLZTJI-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.52
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 39389642) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID39389642
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C13H21NO4S/c1-10(2)18-11-5-7-12(8-6-11)19(16,17)14-13(3,4)9-15/h5-8,10,14-15H,9H2,1-4H3
InChIKeyJMQSWKJWZLZTJI-UHFFFAOYSA-N
XLogP1.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588840
4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid
CID 110454209
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
4-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988
3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 60516647
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81438341
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126828292
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide (CID 39389642) is N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NC(C)(C)CO)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is JMQSWKJWZLZTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-10(2)18-11-5-7-12(8-6-11)19(16,17)14-13(3,4)9-15/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 39389642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).