N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide

C16H18I2N2O3S — CID 10188202

IUPACN-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide
SMILESCN(C)CCOc1cc(NS(=O)(=O)c2ccc(I)cc2)ccc1I
InChIInChI=1S/C16H18I2N2O3S/c1-20(2)9-10-23-16-11-13(5-8-15(16)18)19-24(21,22)14-6-3-12(17)4-7-14/h3-8,11,19H,9-10H2,1-2H3
InChIKeyAYVRBOCLRMPBBI-UHFFFAOYSA-N
MW572.21 g/mol
LogP3.64
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide

N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide (PubChem CID 10188202) has the molecular formula C16H18I2N2O3S and a molecular weight of 572.21 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide
PubChem CID10188202
Molecular FormulaC16H18I2N2O3S
Molecular Weight572.21 g/mol
Exact Mass571.91
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide
SMILESCN(C)CCOc1cc(NS(=O)(=O)c2ccc(I)cc2)ccc1I
InChIInChI=1S/C16H18I2N2O3S/c1-20(2)9-10-23-16-11-13(5-8-15(16)18)19-24(21,22)14-6-3-12(17)4-7-14/h3-8,11,19H,9-10H2,1-2H3
InChIKeyAYVRBOCLRMPBBI-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.21
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzenesulfonamide
CID 10222792
N-(4-chlorophenyl)-4-[3-(dimethylamino)propoxy]benzenesulfonamide
CID 11617608
N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide
CID 67633417
2,3,6-trichloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]benzenesulfonamide
CID 70033242
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
CID 57437853
1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea
CID 54111043
1-(4-bromo-3-methylphenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]urea;hydrochloride
CID 44533219
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(2-nitrophenyl)urea
CID 54446553
N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4,5-dimethoxy-2-phenylbenzenesulfonamide
CID 10117297
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide (CID 10188202) is N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide is CN(C)CCOc1cc(NS(=O)(=O)c2ccc(I)cc2)ccc1I.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide?
The InChIKey is AYVRBOCLRMPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18I2N2O3S/c1-20(2)9-10-23-16-11-13(5-8-15(16)18)19-24(21,22)14-6-3-12(17)4-7-14/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide?
N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide has a molecular weight of 572.21 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 10188202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).