N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide

C17H19NO4S — CID 119048599

IUPACN-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1
InChIInChI=1S/C17H19NO4S/c1-13-2-6-15(7-3-13)17(20)18-12-14-4-8-16(9-5-14)23(21,22)11-10-19/h2-9,19H,10-12H2,1H3,(H,18,20)
InChIKeyAKFORURHXBRSGM-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.69
Rot. Bonds6

About N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide

N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide (PubChem CID 119048599) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
PubChem CID119048599
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1
InChIInChI=1S/C17H19NO4S/c1-13-2-6-15(7-3-13)17(20)18-12-14-4-8-16(9-5-14)23(21,22)11-10-19/h2-9,19H,10-12H2,1H3,(H,18,20)
InChIKeyAKFORURHXBRSGM-UHFFFAOYSA-N
XLogP1.69
TPSA83.47 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
CID 119048571
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 167811683

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide (CID 119048599) is N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1.
What is the InChIKey of N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is AKFORURHXBRSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-2-6-15(7-3-13)17(20)18-12-14-4-8-16(9-5-14)23(21,22)11-10-19/h2-9,19H,10-12H2,1H3,(H,18,20).
What are the key properties of N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide?
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 119048599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).