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

C12H17ClINO2S — CID 114008764

IUPAC2-chloro-N-(6-iodohexyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCI)c1ccccc1Cl
InChIInChI=1S/C12H17ClINO2S/c13-11-7-3-4-8-12(11)18(16,17)15-10-6-2-1-5-9-14/h3-4,7-8,15H,1-2,5-6,9-10H2
InChIKeyOJRDJPAMMUZHCY-UHFFFAOYSA-N
MW401.70 g/mol
LogP3.61
Rot. Bonds8

About 2-chloro-N-(6-iodohexyl)benzenesulfonamide

2-chloro-N-(6-iodohexyl)benzenesulfonamide (PubChem CID 114008764) has the molecular formula C12H17ClINO2S and a molecular weight of 401.70 g/mol. Its IUPAC name is 2-chloro-N-(6-iodohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-iodohexyl)benzenesulfonamide
PubChem CID114008764
Molecular FormulaC12H17ClINO2S
Molecular Weight401.70 g/mol
Exact Mass400.97
IUPAC Name2-chloro-N-(6-iodohexyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCI)c1ccccc1Cl
InChIInChI=1S/C12H17ClINO2S/c13-11-7-3-4-8-12(11)18(16,17)15-10-6-2-1-5-9-14/h3-4,7-8,15H,1-2,5-6,9-10H2
InChIKeyOJRDJPAMMUZHCY-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'}

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Related Compounds

N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107849069
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide
CID 17475981
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76948260
2-chloro-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 86931251
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-iodohexyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(6-iodohexyl)benzenesulfonamide (CID 114008764) is 2-chloro-N-(6-iodohexyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(6-iodohexyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(6-iodohexyl)benzenesulfonamide is O=S(=O)(NCCCCCCI)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(6-iodohexyl)benzenesulfonamide?
The InChIKey is OJRDJPAMMUZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClINO2S/c13-11-7-3-4-8-12(11)18(16,17)15-10-6-2-1-5-9-14/h3-4,7-8,15H,1-2,5-6,9-10H2.
What are the key properties of 2-chloro-N-(6-iodohexyl)benzenesulfonamide?
2-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 2-chloro-N-(6-iodohexyl)benzenesulfonamide is sourced from PubChem (CID 114008764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).