N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide

C15H17NO3S — CID 106900408

IUPACN-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccccc2O)cc1
InChIInChI=1S/C15H17NO3S/c1-2-12-7-9-13(10-8-12)11-16-20(18,19)15-6-4-3-5-14(15)17/h3-10,16-17H,2,11H2,1H3
InChIKeyZIRPVSXIJJZLGE-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.43
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide

N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide (PubChem CID 106900408) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
PubChem CID106900408
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccccc2O)cc1
InChIInChI=1S/C15H17NO3S/c1-2-12-7-9-13(10-8-12)11-16-20(18,19)15-6-4-3-5-14(15)17/h3-10,16-17H,2,11H2,1H3
InChIKeyZIRPVSXIJJZLGE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-benzyl-2-(ethylamino)benzenesulfonamide
CID 62148548
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323
methyl 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoate
CID 47006128
N-benzyl-4-hydroxynaphthalene-1-sulfonamide
CID 57096004
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241598

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide (CID 106900408) is N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide?
The InChIKey is ZIRPVSXIJJZLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-12-7-9-13(10-8-12)11-16-20(18,19)15-6-4-3-5-14(15)17/h3-10,16-17H,2,11H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide?
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 106900408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).