N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide

C11H15ClINO3S — CID 103729090

IUPACN-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClINO3S/c1-8(2)17-5-6-18(15,16)14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyNGHQGLYLBMWJSZ-UHFFFAOYSA-N
MW403.67 g/mol
LogP3.11
Rot. Bonds6

About N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide

N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 103729090) has the molecular formula C11H15ClINO3S and a molecular weight of 403.67 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID103729090
Molecular FormulaC11H15ClINO3S
Molecular Weight403.67 g/mol
Exact Mass402.95
IUPAC NameN-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClINO3S/c1-8(2)17-5-6-18(15,16)14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyNGHQGLYLBMWJSZ-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 53.11
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-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923
N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107606863
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 81280127
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 82013391
N-(2-chloro-4-iodophenyl)-1-cyanoethanesulfonamide
CID 107605663
N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 113249970
2-chloro-4-iodo-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64631157
N-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475
N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79934251

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide (CID 103729090) is N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is NGHQGLYLBMWJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClINO3S/c1-8(2)17-5-6-18(15,16)14-11-4-3-9(13)7-10(11)12/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide?
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 403.67 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 103729090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).