3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

C13H21NO4S — CID 61455972

IUPAC3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C13H21NO4S/c1-10(9-18-4)14(3)19(16,17)13-7-5-6-12(8-13)11(2)15/h5-8,10-11,15H,9H2,1-4H3
InChIKeyVWSBFRSIFJJULJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.40
Rot. Bonds6

About 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 61455972) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID61455972
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C13H21NO4S/c1-10(9-18-4)14(3)19(16,17)13-7-5-6-12(8-13)11(2)15/h5-8,10-11,15H,9H2,1-4H3
InChIKeyVWSBFRSIFJJULJ-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
4-(1-aminoethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61452492
3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
CID 60872474
3-bromo-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61059985
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511
2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 60951886
3-chloro-4-(chloromethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 107091002
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936691

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (CID 61455972) is 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is COCC(C)N(C)S(=O)(=O)c1cccc(C(C)O)c1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is VWSBFRSIFJJULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-10(9-18-4)14(3)19(16,17)13-7-5-6-12(8-13)11(2)15/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61455972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).