2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide

C11H14ClNO4S — CID 106741452

IUPAC2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
SMILESCCS(=O)(=O)CCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H14ClNO4S/c1-2-18(16,17)6-5-13-11(15)9-7-8(14)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyLHCMUJLVJXCNFT-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.21
Rot. Bonds5

About 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide

2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide (PubChem CID 106741452) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
PubChem CID106741452
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
SMILESCCS(=O)(=O)CCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H14ClNO4S/c1-2-18(16,17)6-5-13-11(15)9-7-8(14)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyLHCMUJLVJXCNFT-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide
CID 106501035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide (CID 106741452) is 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide is CCS(=O)(=O)CCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide?
The InChIKey is LHCMUJLVJXCNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-2-18(16,17)6-5-13-11(15)9-7-8(14)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide?
2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide has a molecular weight of 291.76 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide is sourced from PubChem (CID 106741452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).