N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide

C14H21NO4S — CID 81258859

IUPACN-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H21NO4S/c1-11(12-6-7-12)15(8-9-19-2)20(17,18)14-5-3-4-13(16)10-14/h3-5,10-12,16H,6-9H2,1-2H3
InChIKeyGGLPMFLXIXRHHH-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.83
Rot. Bonds7

About N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide

N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 81258859) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID81258859
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H21NO4S/c1-11(12-6-7-12)15(8-9-19-2)20(17,18)14-5-3-4-13(16)10-14/h3-5,10-12,16H,6-9H2,1-2H3
InChIKeyGGLPMFLXIXRHHH-UHFFFAOYSA-N
XLogP1.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 106545578
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
CID 62159021
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 61109788
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propane-2-sulfonamide
CID 62351553
3-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82965253
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide
CID 83083949
2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947081

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide (CID 81258859) is N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C(C)C1CC1)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is GGLPMFLXIXRHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(12-6-7-12)15(8-9-19-2)20(17,18)14-5-3-4-13(16)10-14/h3-5,10-12,16H,6-9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide?
N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 81258859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).