4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C12H19NO4S — CID 39372744

IUPAC4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C12H19NO4S/c1-4-17-10-5-7-11(8-6-10)18(15,16)13-12(2,3)9-14/h5-8,13-14H,4,9H2,1-3H3
InChIKeyJBTWHQZTGRMORL-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.13
Rot. Bonds6

About 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 39372744) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID39372744
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C12H19NO4S/c1-4-17-10-5-7-11(8-6-10)18(15,16)13-12(2,3)9-14/h5-8,13-14H,4,9H2,1-3H3
InChIKeyJBTWHQZTGRMORL-UHFFFAOYSA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 39389642
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
4-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988
4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid
CID 110454209
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031479
4-ethoxybenzenesulfonic acid
CID 7013020
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 39372744) is 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(C)(C)CO)cc1.
What is the InChIKey of 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is JBTWHQZTGRMORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-4-17-10-5-7-11(8-6-10)18(15,16)13-12(2,3)9-14/h5-8,13-14H,4,9H2,1-3H3.
What are the key properties of 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 39372744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).