5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide

C23H25NO4S2 — CID 57430153

IUPAC5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C23H25NO4S2/c1-2-20-15-16-22(29(25,26)21-13-7-4-8-14-21)18-23(20)30(27,28)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18,24H,2,9,12,17H2,1H3
InChIKeyAYGFXSCUXGSIQW-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.99
Rot. Bonds9

About 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide

5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 57430153) has the molecular formula C23H25NO4S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID57430153
Molecular FormulaC23H25NO4S2
Molecular Weight443.59 g/mol
Exact Mass443.12
IUPAC Name5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C23H25NO4S2/c1-2-20-15-16-22(29(25,26)21-13-7-4-8-14-21)18-23(20)30(27,28)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18,24H,2,9,12,17H2,1H3
InChIKeyAYGFXSCUXGSIQW-UHFFFAOYSA-N
XLogP3.99
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(benzenesulfonyl)-2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 57430146
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide (CID 57430153) is 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCCc1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is AYGFXSCUXGSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S2/c1-2-20-15-16-22(29(25,26)21-13-7-4-8-14-21)18-23(20)30(27,28)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18,24H,2,9,12,17H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide?
5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 443.59 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 57430153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).