4-chloro-N-(6-iodohexyl)benzenesulfonamide

C12H17ClINO2S — CID 107849052

IUPAC4-chloro-N-(6-iodohexyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCI)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClINO2S/c13-11-5-7-12(8-6-11)18(16,17)15-10-4-2-1-3-9-14/h5-8,15H,1-4,9-10H2
InChIKeyQKXKCYIEWFHMID-UHFFFAOYSA-N
MW401.70 g/mol
LogP3.61
Rot. Bonds8

About 4-chloro-N-(6-iodohexyl)benzenesulfonamide

4-chloro-N-(6-iodohexyl)benzenesulfonamide (PubChem CID 107849052) has the molecular formula C12H17ClINO2S and a molecular weight of 401.70 g/mol. Its IUPAC name is 4-chloro-N-(6-iodohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-iodohexyl)benzenesulfonamide
PubChem CID107849052
Molecular FormulaC12H17ClINO2S
Molecular Weight401.70 g/mol
Exact Mass400.97
IUPAC Name4-chloro-N-(6-iodohexyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCI)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClINO2S/c13-11-5-7-12(8-6-11)18(16,17)15-10-4-2-1-3-9-14/h5-8,15H,1-4,9-10H2
InChIKeyQKXKCYIEWFHMID-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.70
LogP ≤ 53.61
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'}

Analyze 4-chloro-N-(6-iodohexyl)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

4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
CID 171348226
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
2-chloro-14-[(4-chlorophenyl)sulfonylamino]tetradecanoic acid
CID 150676400
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-iodohexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-iodohexyl)benzenesulfonamide (CID 107849052) is 4-chloro-N-(6-iodohexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-iodohexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-iodohexyl)benzenesulfonamide is O=S(=O)(NCCCCCCI)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-iodohexyl)benzenesulfonamide?
The InChIKey is QKXKCYIEWFHMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClINO2S/c13-11-5-7-12(8-6-11)18(16,17)15-10-4-2-1-3-9-14/h5-8,15H,1-4,9-10H2.
What are the key properties of 4-chloro-N-(6-iodohexyl)benzenesulfonamide?
4-chloro-N-(6-iodohexyl)benzenesulfonamide has a molecular weight of 401.70 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-iodohexyl)benzenesulfonamide is sourced from PubChem (CID 107849052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).