4-iodo-N-(4-phenylbutyl)benzenesulfonamide

C16H18INO2S — CID 5163174

IUPAC4-iodo-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C16H18INO2S/c17-15-9-11-16(12-10-15)21(19,20)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2
InChIKeyHDLJPDKZNPGVFZ-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.59
Rot. Bonds7

About 4-iodo-N-(4-phenylbutyl)benzenesulfonamide

4-iodo-N-(4-phenylbutyl)benzenesulfonamide (PubChem CID 5163174) has the molecular formula C16H18INO2S and a molecular weight of 415.30 g/mol. Its IUPAC name is 4-iodo-N-(4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-(4-phenylbutyl)benzenesulfonamide
PubChem CID5163174
Molecular FormulaC16H18INO2S
Molecular Weight415.30 g/mol
Exact Mass415.01
IUPAC Name4-iodo-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C16H18INO2S/c17-15-9-11-16(12-10-15)21(19,20)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2
InChIKeyHDLJPDKZNPGVFZ-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(4-phenylbutyl)benzenesulfonamide?
The IUPAC name of 4-iodo-N-(4-phenylbutyl)benzenesulfonamide (CID 5163174) is 4-iodo-N-(4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-(4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 4-iodo-N-(4-phenylbutyl)benzenesulfonamide is O=S(=O)(NCCCCc1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(4-phenylbutyl)benzenesulfonamide?
The InChIKey is HDLJPDKZNPGVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO2S/c17-15-9-11-16(12-10-15)21(19,20)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2.
What are the key properties of 4-iodo-N-(4-phenylbutyl)benzenesulfonamide?
4-iodo-N-(4-phenylbutyl)benzenesulfonamide has a molecular weight of 415.30 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 5163174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).