N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide

C13H19NO4S — CID 63298619

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(O)C2CC2)cc1
InChIInChI=1S/C13H19NO4S/c1-2-18-11-5-7-12(8-6-11)19(16,17)14-9-13(15)10-3-4-10/h5-8,10,13-15H,2-4,9H2,1H3
InChIKeyKSIFBOTWMOMITR-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.13
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide (PubChem CID 63298619) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide
PubChem CID63298619
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(O)C2CC2)cc1
InChIInChI=1S/C13H19NO4S/c1-2-18-11-5-7-12(8-6-11)19(16,17)14-9-13(15)10-3-4-10/h5-8,10,13-15H,2-4,9H2,1H3
InChIKeyKSIFBOTWMOMITR-UHFFFAOYSA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836328
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
N-(2-cyclopentyl-2-hydroxyethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453653
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90498901
N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 63299069

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide (CID 63298619) is N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(O)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide?
The InChIKey is KSIFBOTWMOMITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-18-11-5-7-12(8-6-11)19(16,17)14-9-13(15)10-3-4-10/h5-8,10,13-15H,2-4,9H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 63298619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).