3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

C12H19NO4S — CID 81258377

IUPAC3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1cccc(O)c1)C(C)C
InChIInChI=1S/C12H19NO4S/c1-9(2)12(8-17-3)13-18(15,16)11-6-4-5-10(14)7-11/h4-7,9,12-14H,8H2,1-3H3
InChIKeyTZQKKQSWTNBRNN-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.34
Rot. Bonds6

About 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 81258377) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID81258377
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1cccc(O)c1)C(C)C
InChIInChI=1S/C12H19NO4S/c1-9(2)12(8-17-3)13-18(15,16)11-6-4-5-10(14)7-11/h4-7,9,12-14H,8H2,1-3H3
InChIKeyTZQKKQSWTNBRNN-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106068777
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 106919463
3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270415
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 82847437
N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide
CID 81259771
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65048630
2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048629
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
2-[[3-(methoxymethyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122068021
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 81258377) is 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is COCC(NS(=O)(=O)c1cccc(O)c1)C(C)C.
What is the InChIKey of 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is TZQKKQSWTNBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9(2)12(8-17-3)13-18(15,16)11-6-4-5-10(14)7-11/h4-7,9,12-14H,8H2,1-3H3.
What are the key properties of 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 81258377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).