N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide

C20H27NO3S — CID 11610210

IUPACN-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
SMILESCCCN(c1c(CC)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C20H27NO3S/c1-5-13-21(20-16(6-2)9-8-10-17(20)7-3)25(23,24)18-11-12-19(22)15(4)14-18/h8-12,14,22H,5-7,13H2,1-4H3
InChIKeyOQSPUFMFVJYHSB-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.43
Rot. Bonds7

About N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide

N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide (PubChem CID 11610210) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
PubChem CID11610210
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC NameN-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
SMILESCCCN(c1c(CC)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C20H27NO3S/c1-5-13-21(20-16(6-2)9-8-10-17(20)7-3)25(23,24)18-11-12-19(22)15(4)14-18/h8-12,14,22H,5-7,13H2,1-4H3
InChIKeyOQSPUFMFVJYHSB-UHFFFAOYSA-N
XLogP4.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407802
N-butyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407804
4-hydroxy-N-neopentyl-N-phenylbenzenesulfonamide
CID 44407806
4-(2-methyl-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenol
CID 43135503
N-(2-chloro-6-methylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407583
N-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407584
N-(2,6-dimethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407585
N-(2-ethyl-6-methylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407586
N-(2-bromophenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407661
N-ethyl-4-hydroxy-3-methyl-N-phenylbenzenesulfonamide
CID 44407724
4-hydroxy-3-methyl-N-propyl-N-o-tolylbenzenesulfonamide
CID 44407805
N-(2-chlorophenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407811

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide (CID 11610210) is N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide is CCCN(c1c(CC)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide?
The InChIKey is OQSPUFMFVJYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-5-13-21(20-16(6-2)9-8-10-17(20)7-3)25(23,24)18-11-12-19(22)15(4)14-18/h8-12,14,22H,5-7,13H2,1-4H3.
What are the key properties of N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide?
N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 11610210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).