N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide

C16H19NO3S — CID 80689891

IUPACN-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-12-10-15(18)8-9-16(12)17-21(19,20)11-13(2)14-6-4-3-5-7-14/h3-10,13,17-18H,11H2,1-2H3
InChIKeyGLGIPRIWCKCHPL-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.25
Rot. Bonds5

About N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide

N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide (PubChem CID 80689891) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide
PubChem CID80689891
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-12-10-15(18)8-9-16(12)17-21(19,20)11-13(2)14-6-4-3-5-7-14/h3-10,13,17-18H,11H2,1-2H3
InChIKeyGLGIPRIWCKCHPL-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
CID 79001394
N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide
CID 81494969
2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
CID 107652044
N-(3-bromo-4-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80691145
N-(2-bromo-5-chlorophenyl)-2-phenylpropane-1-sulfonamide
CID 81260767
2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide
CID 97070624
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946
2-phenylpropane-1-sulfonic acid
CID 18989058
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide (CID 80689891) is N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide is Cc1cc(O)ccc1NS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is GLGIPRIWCKCHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-10-15(18)8-9-16(12)17-21(19,20)11-13(2)14-6-4-3-5-7-14/h3-10,13,17-18H,11H2,1-2H3.
What are the key properties of N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide?
N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80689891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).