N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide

C19H17NO4S — CID 134878745

IUPACN-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C19H17NO4S/c21-18-12-11-16(20-25(22,23)17-9-5-2-6-10-17)13-19(18)24-14-15-7-3-1-4-8-15/h1-13,20-21H,14H2
InChIKeyCYKNWBOQDXFSRP-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.77
Rot. Bonds6

About N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide

N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 134878745) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID134878745
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC NameN-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C19H17NO4S/c21-18-12-11-16(20-25(22,23)17-9-5-2-6-10-17)13-19(18)24-14-15-7-3-1-4-8-15/h1-13,20-21H,14H2
InChIKeyCYKNWBOQDXFSRP-UHFFFAOYSA-N
XLogP3.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494
N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 70194773
4-butan-2-yl-2-phenylmethoxyphenol
CID 58776827
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
N-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]benzenesulfonamide
CID 87937653
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide
CID 819586
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 1073704
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide (CID 134878745) is N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)c(OCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is CYKNWBOQDXFSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-18-12-11-16(20-25(22,23)17-9-5-2-6-10-17)13-19(18)24-14-15-7-3-1-4-8-15/h1-13,20-21H,14H2.
What are the key properties of N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide?
N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 134878745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).