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

C15H17NO3S — CID 10424386

IUPACN-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-2-8-15(9-3-12)20(18,19)16-11-10-13-4-6-14(17)7-5-13/h2-9,16-17H,10-11H2,1H3
InChIKeyZTGAJVOEGBPKRK-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.22
Rot. Bonds5

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

N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 10424386) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID10424386
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-2-8-15(9-3-12)20(18,19)16-11-10-13-4-6-14(17)7-5-13/h2-9,16-17H,10-11H2,1H3
InChIKeyZTGAJVOEGBPKRK-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 61239053
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
4-[2-(4-methylphenyl)sulfonylethyl]phenol
CID 141218535
1-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-phenylthiourea
CID 118713281
6-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
CID 61237307
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54903977

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 10424386) is N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is ZTGAJVOEGBPKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-2-8-15(9-3-12)20(18,19)16-11-10-13-4-6-14(17)7-5-13/h2-9,16-17H,10-11H2,1H3.
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10424386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).