N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide

C15H16N2O5S — CID 167907178

IUPACN-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O5S/c1-11-6-7-15(18)13(10-11)16-23(21,22)9-8-12-4-2-3-5-14(12)17(19)20/h2-7,10,16,18H,8-9H2,1H3
InChIKeyZEMVOQGWRBRUGQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.59
Rot. Bonds6

About N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide

N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide (PubChem CID 167907178) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
PubChem CID167907178
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O5S/c1-11-6-7-15(18)13(10-11)16-23(21,22)9-8-12-4-2-3-5-14(12)17(19)20/h2-7,10,16,18H,8-9H2,1H3
InChIKeyZEMVOQGWRBRUGQ-UHFFFAOYSA-N
XLogP2.59
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 71847210
N-(2-cyano-5-methylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 3780515
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981762
4-methyl-2-[(2-nitrophenyl)methyl]benzenesulfonic acid
CID 19386590
4-methyl-2-[(5-methyl-2-nitroanilino)methyl]phenol
CID 115912338
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071
N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62022225
N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75449066
(2-nitrophenyl)methyl 2,4-dimethylbenzenesulfonate
CID 174527331
N-[(2-nitrophenyl)methyl]ethanesulfonamide
CID 47372545
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide (CID 167907178) is N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide is Cc1ccc(O)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide?
The InChIKey is ZEMVOQGWRBRUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-11-6-7-15(18)13(10-11)16-23(21,22)9-8-12-4-2-3-5-14(12)17(19)20/h2-7,10,16,18H,8-9H2,1H3.
What are the key properties of N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide?
N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide is sourced from PubChem (CID 167907178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).