N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

C16H19NO4S — CID 110605307

IUPACN-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2O)c(C)c1
InChIInChI=1S/C16H19NO4S/c1-12-11-14(21-2)7-8-16(12)22(19,20)17-10-9-13-5-3-4-6-15(13)18/h3-8,11,17-18H,9-10H2,1-2H3
InChIKeyGQGQUWQYXMJAOF-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 110605307) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID110605307
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2O)c(C)c1
InChIInChI=1S/C16H19NO4S/c1-12-11-14(21-2)7-8-16(12)22(19,20)17-10-9-13-5-3-4-6-15(13)18/h3-8,11,17-18H,9-10H2,1-2H3
InChIKeyGQGQUWQYXMJAOF-UHFFFAOYSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110711871
N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 99872864
4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
CID 110293800
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 110605307) is N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2O)c(C)c1.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is GQGQUWQYXMJAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-12-11-14(21-2)7-8-16(12)22(19,20)17-10-9-13-5-3-4-6-15(13)18/h3-8,11,17-18H,9-10H2,1-2H3.
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 110605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).