4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide

C24H35NO4S — CID 22486758

IUPAC4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
SMILESCCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C24H35NO4S/c1-2-3-4-5-6-7-8-9-10-13-20-29-21-16-18-22(19-17-21)30(27,28)25-23-14-11-12-15-24(23)26/h11-12,14-19,25-26H,2-10,13,20H2,1H3
InChIKeyKMBIBBPGYPFNCR-UHFFFAOYSA-N
MW433.61 g/mol
LogP6.49
Rot. Bonds15

About 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide

4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide (PubChem CID 22486758) has the molecular formula C24H35NO4S and a molecular weight of 433.61 g/mol. Its IUPAC name is 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
PubChem CID22486758
Molecular FormulaC24H35NO4S
Molecular Weight433.61 g/mol
Exact Mass433.23
IUPAC Name4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
SMILESCCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C24H35NO4S/c1-2-3-4-5-6-7-8-9-10-13-20-29-21-16-18-22(19-17-21)30(27,28)25-23-14-11-12-15-24(23)26/h11-12,14-19,25-26H,2-10,13,20H2,1H3
InChIKeyKMBIBBPGYPFNCR-UHFFFAOYSA-N
XLogP6.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.61
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142
N-(3,4-dihydroxyphenyl)-4-octadecoxybenzenesulfonamide
CID 71344674
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide
CID 22774366
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-butoxybenzenesulfonamide
CID 3797349
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
1-dodecoxy-4-[(4-dodecoxyphenyl)sulfonylmethylsulfonyl]benzene
CID 23437512
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46101931
N-(5-tert-butyl-4-hexadecoxy-2-hydroxyphenyl)benzenesulfonamide
CID 19747071
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
sodium;4-hexadecoxybenzenesulfonic acid;hydride
CID 173418063

Frequently Asked Questions

What is the IUPAC name of 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide (CID 22486758) is 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide is CCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2ccccc2O)cc1.
What is the InChIKey of 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is KMBIBBPGYPFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO4S/c1-2-3-4-5-6-7-8-9-10-13-20-29-21-16-18-22(19-17-21)30(27,28)25-23-14-11-12-15-24(23)26/h11-12,14-19,25-26H,2-10,13,20H2,1H3.
What are the key properties of 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide?
4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 433.61 g/mol, XLogP of 6.49, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 22486758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).