N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide

C24H36N2O3S — CID 19873383

IUPACN-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide
SMILESCCCCCCC(CC)NCC(O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H36N2O3S/c1-4-6-7-8-9-21(5-2)25-18-24(27)20-12-14-22(15-13-20)26-30(28,29)23-16-10-19(3)11-17-23/h10-17,21,24-27H,4-9,18H2,1-3H3
InChIKeyGNZIKZFSVVKQQO-UHFFFAOYSA-N
MW432.63 g/mol
LogP5.17
Rot. Bonds13

About N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide

N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 19873383) has the molecular formula C24H36N2O3S and a molecular weight of 432.63 g/mol. Its IUPAC name is N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID19873383
Molecular FormulaC24H36N2O3S
Molecular Weight432.63 g/mol
Exact Mass432.24
IUPAC NameN-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide
SMILESCCCCCCC(CC)NCC(O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H36N2O3S/c1-4-6-7-8-9-21(5-2)25-18-24(27)20-12-14-22(15-13-20)26-30(28,29)23-16-10-19(3)11-17-23/h10-17,21,24-27H,4-9,18H2,1-3H3
InChIKeyGNZIKZFSVVKQQO-UHFFFAOYSA-N
XLogP5.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.63
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide (CID 19873383) is N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide is CCCCCCC(CC)NCC(O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is GNZIKZFSVVKQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3S/c1-4-6-7-8-9-21(5-2)25-18-24(27)20-12-14-22(15-13-20)26-30(28,29)23-16-10-19(3)11-17-23/h10-17,21,24-27H,4-9,18H2,1-3H3.
What are the key properties of N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 432.63 g/mol, XLogP of 5.17, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-2-(nonan-3-ylamino)ethyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 19873383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).