N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide

C22H21NO4S — CID 135030469

IUPACN-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(c1cccc(O)c1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21NO4S/c1-3-23(28(26,27)18-14-12-16(2)13-15-18)19-10-7-11-20(24)21(19)22(25)17-8-5-4-6-9-17/h4-15,24H,3H2,1-2H3
InChIKeyIITJKAWGIOZIOH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.15
Rot. Bonds6

About N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide

N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 135030469) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
PubChem CID135030469
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(c1cccc(O)c1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21NO4S/c1-3-23(28(26,27)18-14-12-16(2)13-15-18)19-10-7-11-20(24)21(19)22(25)17-8-5-4-6-9-17/h4-15,24H,3H2,1-2H3
InChIKeyIITJKAWGIOZIOH-UHFFFAOYSA-N
XLogP4.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-Benzyl-1-hydroxyacridin-9-one
CID 49844586
4-(N-benzyl-[1,1''-biphenyl]-4-ylsulfonamido)-2-hydroxybenzoic acid
CID 126480756
2-hydroxy-5-(N-isobutyl-[1,1''-biphenyl]-4-ylsulfonamido) benzoic acid
CID 126480836
2-hydroxy-4-(N-isobutyl-[1,1''-biphenyl]-4-ylsulfonamido) benzoic acid
CID 135238741
4-(N-cyclopentyl-[1,1''-biphenyl]-4-ylsulfonamido)-2-hydroxybenzoic acid
CID 135238751
5-Hydroxy-1-methyl-2-phenylquinolin-4(1H)-one
CID 71307707
2-[[3-(Diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid
CID 71819381
1-Hydroxy-10-(2-phenylethyl)acridin-9-one
CID 49844588
1-Hydroxy-10-(3-phenylpropyl)acridin-9-one
CID 49844735
1-Hydroxy-10-(4-phenylbutyl)acridin-9-one
CID 49844736
4-(4-fluoro-N-isobutylphenyl-sulfonamido)-2-hydroxybenzoic acid
CID 126480831
2-hydroxy-4-(N-isobutylphenyl-sulfonamido) benzoic acid
CID 126480887

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide (CID 135030469) is N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide is CCN(c1cccc(O)c1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is IITJKAWGIOZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-3-23(28(26,27)18-14-12-16(2)13-15-18)19-10-7-11-20(24)21(19)22(25)17-8-5-4-6-9-17/h4-15,24H,3H2,1-2H3.
What are the key properties of N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide?
N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-3-hydroxyphenyl)-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 135030469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).