4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide

C19H23NO4S — CID 19594335

IUPAC4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESCCCCCCC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-2-3-4-5-6-19(22)15-7-13-18(14-8-15)25(23,24)20-16-9-11-17(21)12-10-16/h7-14,20-21H,2-6H2,1H3
InChIKeyPHAXATIOULYZBB-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.35
Rot. Bonds9

About 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide

4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 19594335) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID19594335
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESCCCCCCC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-2-3-4-5-6-19(22)15-7-13-18(14-8-15)25(23,24)20-16-9-11-17(21)12-10-16/h7-14,20-21H,2-6H2,1H3
InChIKeyPHAXATIOULYZBB-UHFFFAOYSA-N
XLogP4.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.35
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-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
octadecyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
CID 19594257
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
1-(4-methylsulfonylphenyl)octan-1-one
CID 86016646
1-(4-methylphenyl)sulfonyl-3-(4-octadecanoylphenyl)urea
CID 21459629
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
CID 14228728

Frequently Asked Questions

What is the IUPAC name of 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide (CID 19594335) is 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide is CCCCCCC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is PHAXATIOULYZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-2-3-4-5-6-19(22)15-7-13-18(14-8-15)25(23,24)20-16-9-11-17(21)12-10-16/h7-14,20-21H,2-6H2,1H3.
What are the key properties of 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide?
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 19594335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).