N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide

C11H18N2O4S — CID 107697822

IUPACN-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C11H18N2O4S/c1-8(2)17-5-6-18(15,16)13-11-4-3-9(14)7-10(11)12/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyMIMOTAAKWYHWBP-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.14
Rot. Bonds6

About N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide

N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 107697822) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID107697822
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C11H18N2O4S/c1-8(2)17-5-6-18(15,16)13-11-4-3-9(14)7-10(11)12/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyMIMOTAAKWYHWBP-UHFFFAOYSA-N
XLogP1.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923
N-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475
N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79934251
3-amino-4-(2-methylpropylsulfamoylamino)phenol
CID 107697833
N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594821
N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 82013391
5-fluoro-2-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 82015535
N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 81495801
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-(2-amino-6-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 81310210

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide (CID 107697822) is N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1ccc(O)cc1N.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is MIMOTAAKWYHWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8(2)17-5-6-18(15,16)13-11-4-3-9(14)7-10(11)12/h3-4,7-8,13-14H,5-6,12H2,1-2H3.
What are the key properties of N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 107697822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).