N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide

C10H13IN2O3S — CID 167940813

IUPACN-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide
SMILESCOc1ccc(I)c(NS(=O)(=O)N2CCC2)c1
InChIInChI=1S/C10H13IN2O3S/c1-16-8-3-4-9(11)10(7-8)12-17(14,15)13-5-2-6-13/h3-4,7,12H,2,5-6H2,1H3
InChIKeyNAHATIRULCAAKR-UHFFFAOYSA-N
MW368.20 g/mol
LogP1.66
Rot. Bonds4

About N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide

N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide (PubChem CID 167940813) has the molecular formula C10H13IN2O3S and a molecular weight of 368.20 g/mol. Its IUPAC name is N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide
PubChem CID167940813
Molecular FormulaC10H13IN2O3S
Molecular Weight368.20 g/mol
Exact Mass367.97
IUPAC NameN-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide
SMILESCOc1ccc(I)c(NS(=O)(=O)N2CCC2)c1
InChIInChI=1S/C10H13IN2O3S/c1-16-8-3-4-9(11)10(7-8)12-17(14,15)13-5-2-6-13/h3-4,7,12H,2,5-6H2,1H3
InChIKeyNAHATIRULCAAKR-UHFFFAOYSA-N
XLogP1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402
N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
CID 28783253
N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
CID 102696009
3-(aminomethyl)-N-(2-bromo-5-methoxyphenyl)piperidine-1-sulfonamide
CID 106067174
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
N-(4-ethoxyphenyl)azepane-1-sulfonamide
CID 2988232
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
CID 110705880
1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine
CID 19132660
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide?
The IUPAC name of N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide (CID 167940813) is N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide.
What is the SMILES notation for N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide?
The canonical SMILES for N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide is COc1ccc(I)c(NS(=O)(=O)N2CCC2)c1.
What is the InChIKey of N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide?
The InChIKey is NAHATIRULCAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3S/c1-16-8-3-4-9(11)10(7-8)12-17(14,15)13-5-2-6-13/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide?
N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide has a molecular weight of 368.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide is sourced from PubChem (CID 167940813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).