2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide

C17H19NO4S — CID 167377603

IUPAC2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
SMILESCCS(=O)(=O)c1ccc([C@H](CO)c2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H19NO4S/c1-2-23(21,22)13-9-7-12(8-10-13)16(11-19)14-5-3-4-6-15(14)17(18)20/h3-10,16,19H,2,11H2,1H3,(H2,18,20)/t16-/m0/s1
InChIKeyKFGZMLRHAQCDAU-INIZCTEOSA-N
MW333.41 g/mol
LogP1.70
Rot. Bonds6

About 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide

2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide (PubChem CID 167377603) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
PubChem CID167377603
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
SMILESCCS(=O)(=O)c1ccc([C@H](CO)c2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H19NO4S/c1-2-23(21,22)13-9-7-12(8-10-13)16(11-19)14-5-3-4-6-15(14)17(18)20/h3-10,16,19H,2,11H2,1H3,(H2,18,20)/t16-/m0/s1
InChIKeyKFGZMLRHAQCDAU-INIZCTEOSA-N
XLogP1.70
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 176657549
2-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 140749804
2-(4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425917
1-[(R)-bromo(phenyl)methyl]-4-ethylsulfonylbenzene
CID 93484609
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
3-carbamoyloxy-2-(4-ethylsulfonylphenyl)propanoic acid
CID 156774002
2-(1-phenylbutyl)benzoic acid
CID 118163861
3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 140673362
2-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[(2S,4R)-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]benzamide
CID 167377628
2-[bromo(phenyl)methyl]benzamide
CID 175221886

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide (CID 167377603) is 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide is CCS(=O)(=O)c1ccc([C@H](CO)c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide?
The InChIKey is KFGZMLRHAQCDAU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-2-23(21,22)13-9-7-12(8-10-13)16(11-19)14-5-3-4-6-15(14)17(18)20/h3-10,16,19H,2,11H2,1H3,(H2,18,20)/t16-/m0/s1.
What are the key properties of 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide?
2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 167377603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).