N-(4-iodobutyl)benzenesulfonamide

C10H14INO2S — CID 106846581

IUPACN-(4-iodobutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCI)c1ccccc1
InChIInChI=1S/C10H14INO2S/c11-8-4-5-9-12-15(13,14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyCFBQIEWHGAVAQM-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.18
Rot. Bonds6

About N-(4-iodobutyl)benzenesulfonamide

N-(4-iodobutyl)benzenesulfonamide (PubChem CID 106846581) has the molecular formula C10H14INO2S and a molecular weight of 339.20 g/mol. Its IUPAC name is N-(4-iodobutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodobutyl)benzenesulfonamide
PubChem CID106846581
Molecular FormulaC10H14INO2S
Molecular Weight339.20 g/mol
Exact Mass338.98
IUPAC NameN-(4-iodobutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCI)c1ccccc1
InChIInChI=1S/C10H14INO2S/c11-8-4-5-9-12-15(13,14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyCFBQIEWHGAVAQM-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
N-tridecylbenzenesulfonamide
CID 3514704
N-[4-(phenylsulfanylamino)butyl]benzenesulfonamide
CID 163657424
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)benzenesulfonamide?
The IUPAC name of N-(4-iodobutyl)benzenesulfonamide (CID 106846581) is N-(4-iodobutyl)benzenesulfonamide.
What is the SMILES notation for N-(4-iodobutyl)benzenesulfonamide?
The canonical SMILES for N-(4-iodobutyl)benzenesulfonamide is O=S(=O)(NCCCCI)c1ccccc1.
What is the InChIKey of N-(4-iodobutyl)benzenesulfonamide?
The InChIKey is CFBQIEWHGAVAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2S/c11-8-4-5-9-12-15(13,14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2.
What are the key properties of N-(4-iodobutyl)benzenesulfonamide?
N-(4-iodobutyl)benzenesulfonamide has a molecular weight of 339.20 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)benzenesulfonamide is sourced from PubChem (CID 106846581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).