3-chloro-N-(5-iodopentyl)benzenesulfonamide

C11H15ClINO2S — CID 107322870

IUPAC3-chloro-N-(5-iodopentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCI)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClINO2S/c12-10-5-4-6-11(9-10)17(15,16)14-8-3-1-2-7-13/h4-6,9,14H,1-3,7-8H2
InChIKeyBAVWJNRIGAGTEV-UHFFFAOYSA-N
MW387.67 g/mol
LogP3.22
Rot. Bonds7

About 3-chloro-N-(5-iodopentyl)benzenesulfonamide

3-chloro-N-(5-iodopentyl)benzenesulfonamide (PubChem CID 107322870) has the molecular formula C11H15ClINO2S and a molecular weight of 387.67 g/mol. Its IUPAC name is 3-chloro-N-(5-iodopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-iodopentyl)benzenesulfonamide
PubChem CID107322870
Molecular FormulaC11H15ClINO2S
Molecular Weight387.67 g/mol
Exact Mass386.96
IUPAC Name3-chloro-N-(5-iodopentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCI)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClINO2S/c12-10-5-4-6-11(9-10)17(15,16)14-8-3-1-2-7-13/h4-6,9,14H,1-3,7-8H2
InChIKeyBAVWJNRIGAGTEV-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.67
LogP ≤ 53.22
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

3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959
3-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]benzenesulfonamide
CID 8824103
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
3-chloro-N-pent-3-ynylbenzenesulfonamide
CID 115977985
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-iodopentyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(5-iodopentyl)benzenesulfonamide (CID 107322870) is 3-chloro-N-(5-iodopentyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(5-iodopentyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(5-iodopentyl)benzenesulfonamide is O=S(=O)(NCCCCCI)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-iodopentyl)benzenesulfonamide?
The InChIKey is BAVWJNRIGAGTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClINO2S/c12-10-5-4-6-11(9-10)17(15,16)14-8-3-1-2-7-13/h4-6,9,14H,1-3,7-8H2.
What are the key properties of 3-chloro-N-(5-iodopentyl)benzenesulfonamide?
3-chloro-N-(5-iodopentyl)benzenesulfonamide has a molecular weight of 387.67 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-iodopentyl)benzenesulfonamide is sourced from PubChem (CID 107322870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).