4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide

C12H17NO4S — CID 98018400

IUPAC4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C12H17NO4S/c1-2-18(16,17)11-6-4-10(5-7-11)12(15)13-8-3-9-14/h4-7,14H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyCEIYAZHPNJTBEL-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.59
Rot. Bonds6

About 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide

4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide (PubChem CID 98018400) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
PubChem CID98018400
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C12H17NO4S/c1-2-18(16,17)11-6-4-10(5-7-11)12(15)13-8-3-9-14/h4-7,14H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyCEIYAZHPNJTBEL-UHFFFAOYSA-N
XLogP0.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide (CID 98018400) is 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide is CCS(=O)(=O)c1ccc(C(=O)NCCCO)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is CEIYAZHPNJTBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-2-18(16,17)11-6-4-10(5-7-11)12(15)13-8-3-9-14/h4-7,14H,2-3,8-9H2,1H3,(H,13,15).
What are the key properties of 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide?
4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide has a molecular weight of 271.34 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 98018400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).