3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

C14H23NO4S — CID 104764772

IUPAC3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NCC(C)(C)OC)c1
InChIInChI=1S/C14H23NO4S/c1-5-13(16)11-7-6-8-12(9-11)20(17,18)15-10-14(2,3)19-4/h6-9,13,15-16H,5,10H2,1-4H3
InChIKeyROJMFVUYKXXADB-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.83
Rot. Bonds7

About 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 104764772) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID104764772
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NCC(C)(C)OC)c1
InChIInChI=1S/C14H23NO4S/c1-5-13(16)11-7-6-8-12(9-11)20(17,18)15-10-14(2,3)19-4/h6-9,13,15-16H,5,10H2,1-4H3
InChIKeyROJMFVUYKXXADB-UHFFFAOYSA-N
XLogP1.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 113450286
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360006
3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414903
3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 60874373
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 106079964
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 61466425
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 104764772) is 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)NCC(C)(C)OC)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is ROJMFVUYKXXADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-13(16)11-7-6-8-12(9-11)20(17,18)15-10-14(2,3)19-4/h6-9,13,15-16H,5,10H2,1-4H3.
What are the key properties of 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 104764772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).