5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

C16H25IN2O3S — CID 91670076

IUPAC5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(I)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H25IN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3
InChIKeyBDJOEGHDAORXSQ-UHFFFAOYSA-N
MW452.36 g/mol
LogP2.89
Rot. Bonds4

About 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide

5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 91670076) has the molecular formula C16H25IN2O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
PubChem CID91670076
Molecular FormulaC16H25IN2O3S
Molecular Weight452.36 g/mol
Exact Mass452.06
IUPAC Name5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(I)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H25IN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3
InChIKeyBDJOEGHDAORXSQ-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 2211941
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
2,5-dichloro-4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 9266608
4-methoxy-3-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 1091004
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7290362
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 3487220
6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2-sulfonamide
CID 6473379
4,5-dichloro-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 5312196
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 47002036

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide (CID 91670076) is 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is COc1ccc(I)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is BDJOEGHDAORXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2O3S/c1-15(2)9-12(10-16(3,4)19-15)18-23(20,21)14-8-11(17)6-7-13(14)22-5/h6-8,12,18-19H,9-10H2,1-5H3.
What are the key properties of 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide?
5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 452.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 91670076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).