N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide

C10H15NO4S — CID 82294732

IUPACN-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NO)ccc1OC(C)C
InChIInChI=1S/C10H15NO4S/c1-7(2)15-10-5-4-9(6-8(10)3)16(13,14)11-12/h4-7,11-12H,1-3H3
InChIKeySHTQZCSMMOBVMM-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.45
Rot. Bonds4

About N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 82294732) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID82294732
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameN-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NO)ccc1OC(C)C
InChIInChI=1S/C10H15NO4S/c1-7(2)15-10-5-4-9(6-8(10)3)16(13,14)11-12/h4-7,11-12H,1-3H3
InChIKeySHTQZCSMMOBVMM-UHFFFAOYSA-N
XLogP1.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.45
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

3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115903060
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 82294732) is N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)NO)ccc1OC(C)C.
What is the InChIKey of N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is SHTQZCSMMOBVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-7(2)15-10-5-4-9(6-8(10)3)16(13,14)11-12/h4-7,11-12H,1-3H3.
What are the key properties of N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 82294732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).