N-(4-anilinophenyl)-4-hexylbenzenesulfonamide

C24H28N2O2S — CID 84552335

IUPACN-(4-anilinophenyl)-4-hexylbenzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H28N2O2S/c1-2-3-4-6-9-20-12-18-24(19-13-20)29(27,28)26-23-16-14-22(15-17-23)25-21-10-7-5-8-11-21/h5,7-8,10-19,25-26H,2-4,6,9H2,1H3
InChIKeyCHGBQLCLEKCNDP-UHFFFAOYSA-N
MW408.57 g/mol
LogP6.35
Rot. Bonds10

About N-(4-anilinophenyl)-4-hexylbenzenesulfonamide

N-(4-anilinophenyl)-4-hexylbenzenesulfonamide (PubChem CID 84552335) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-hexylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-hexylbenzenesulfonamide
PubChem CID84552335
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-(4-anilinophenyl)-4-hexylbenzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H28N2O2S/c1-2-3-4-6-9-20-12-18-24(19-13-20)29(27,28)26-23-16-14-22(15-17-23)25-21-10-7-5-8-11-21/h5,7-8,10-19,25-26H,2-4,6,9H2,1H3
InChIKeyCHGBQLCLEKCNDP-UHFFFAOYSA-N
XLogP6.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
N-anthracen-2-yl-4-pentylbenzenesulfonamide
CID 3844846
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
4-hexyl-N-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
CID 84552359
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-hexylbenzenesulfonamide?
The IUPAC name of N-(4-anilinophenyl)-4-hexylbenzenesulfonamide (CID 84552335) is N-(4-anilinophenyl)-4-hexylbenzenesulfonamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-hexylbenzenesulfonamide?
The canonical SMILES for N-(4-anilinophenyl)-4-hexylbenzenesulfonamide is CCCCCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-4-hexylbenzenesulfonamide?
The InChIKey is CHGBQLCLEKCNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-2-3-4-6-9-20-12-18-24(19-13-20)29(27,28)26-23-16-14-22(15-17-23)25-21-10-7-5-8-11-21/h5,7-8,10-19,25-26H,2-4,6,9H2,1H3.
What are the key properties of N-(4-anilinophenyl)-4-hexylbenzenesulfonamide?
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide has a molecular weight of 408.57 g/mol, XLogP of 6.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-hexylbenzenesulfonamide is sourced from PubChem (CID 84552335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).