N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide

C17H21NO4S — CID 18515517

IUPACN-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO4S/c1-2-3-4-13-22-16-9-11-17(12-10-16)23(20,21)18-14-5-7-15(19)8-6-14/h5-12,18-19H,2-4,13H2,1H3
InChIKeyGECSXIOACRVZBG-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.76
Rot. Bonds8

About N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide

N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide (PubChem CID 18515517) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
PubChem CID18515517
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO4S/c1-2-3-4-13-22-16-9-11-17(12-10-16)23(20,21)18-14-5-7-15(19)8-6-14/h5-12,18-19H,2-4,13H2,1H3
InChIKeyGECSXIOACRVZBG-UHFFFAOYSA-N
XLogP3.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydroxyphenyl)-4-octadecoxybenzenesulfonamide
CID 71344674
4-nitro-N-(4-pentoxyphenyl)benzenesulfonamide
CID 19169192
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
octadecyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
CID 19594257
4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
CID 22486758
4-(4-tetradecoxyanilino)phenol
CID 174780996
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
4-octadecoxyphenol
CID 22179059
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 19594335
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide
CID 4934033
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide (CID 18515517) is N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide is CCCCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide?
The InChIKey is GECSXIOACRVZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-2-3-4-13-22-16-9-11-17(12-10-16)23(20,21)18-14-5-7-15(19)8-6-14/h5-12,18-19H,2-4,13H2,1H3.
What are the key properties of N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide?
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide is sourced from PubChem (CID 18515517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).