N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide

C15H17NO4S — CID 169372164

IUPACN-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OCCO)cc1
InChIInChI=1S/C15H17NO4S/c1-12-6-8-13(9-7-12)21(18,19)16-14-4-2-3-5-15(14)20-11-10-17/h2-9,16-17H,10-11H2,1H3
InChIKeyDFMRIFHDRLHKLK-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.17
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide

N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169372164) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID169372164
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OCCO)cc1
InChIInChI=1S/C15H17NO4S/c1-12-6-8-13(9-7-12)21(18,19)16-14-4-2-3-5-15(14)20-11-10-17/h2-9,16-17H,10-11H2,1H3
InChIKeyDFMRIFHDRLHKLK-UHFFFAOYSA-N
XLogP2.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 169370607
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide
CID 2748883
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 47784339
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 169372163
1-(2-ethoxyphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 2209483
4-[2-[(4-methylphenyl)sulfonylamino]phenoxy]benzamide
CID 169372806
N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245152
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzenesulfonamide
CID 60813404

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide (CID 169372164) is N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2OCCO)cc1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is DFMRIFHDRLHKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-12-6-8-13(9-7-12)21(18,19)16-14-4-2-3-5-15(14)20-11-10-17/h2-9,16-17H,10-11H2,1H3.
What are the key properties of N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide?
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).