ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane

C18H29FI2N2O4S2 — CID 159623365

IUPACethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane
SMILESC.CC.CC.Cc1cccc(I)c1S(N)(=O)=O.NS(=O)(=O)c1c(F)cccc1I
InChIInChI=1S/C7H8INO2S.C6H5FINO2S.2C2H6.CH4/c1-5-3-2-4-6(8)7(5)12(9,10)11;7-4-2-1-3-5(8)6(4)12(9,10)11;2*1-2;/h2-4H,1H3,(H2,9,10,11);1-3H,(H2,9,10,11);2*1-2H3;1H4
InChIKeyMOEHCHZFWLWLOQ-UHFFFAOYSA-N
MW674.38 g/mol
LogP5.01
Rot. Bonds2

About ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane

ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane (PubChem CID 159623365) has the molecular formula C18H29FI2N2O4S2 and a molecular weight of 674.38 g/mol. Its IUPAC name is ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane.

Molecular Properties

Compound Nameethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane
PubChem CID159623365
Molecular FormulaC18H29FI2N2O4S2
Molecular Weight674.38 g/mol
Exact Mass673.96
IUPAC Nameethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane
SMILESC.CC.CC.Cc1cccc(I)c1S(N)(=O)=O.NS(=O)(=O)c1c(F)cccc1I
InChIInChI=1S/C7H8INO2S.C6H5FINO2S.2C2H6.CH4/c1-5-3-2-4-6(8)7(5)12(9,10)11;7-4-2-1-3-5(8)6(4)12(9,10)11;2*1-2;/h2-4H,1H3,(H2,9,10,11);1-3H,(H2,9,10,11);2*1-2H3;1H4
InChIKeyMOEHCHZFWLWLOQ-UHFFFAOYSA-N
XLogP5.01
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.38
LogP ≤ 55.01
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

2-amino-6-iodobenzenesulfonamide
CID 23151660
1-fluoro-3-methyl-2-propan-2-ylsulfonylbenzene
CID 71176115
2-acetyl-6-fluorobenzenesulfonamide
CID 130511417
2-methyl-6-propan-2-ylbenzenesulfonamide
CID 43173644
2-bromo-3-iodo-6-methylbenzenesulfonamide
CID 171033362
2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708760
2-methyl-6-phenylbenzenesulfonamide
CID 118598398
(4-tert-butylphenyl) 2-iodo-6-methylbenzenesulfonate
CID 174774825
1-bromo-3-iodo-2-methylsulfonylbenzene
CID 175837376
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
N-[2-(ethylamino)ethyl]-2-fluoro-6-methylbenzenesulfonamide;hydrochloride
CID 120708897
2-fluoro-4-iodopyridine-3-sulfonamide
CID 130882382

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane?
The IUPAC name of ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane (CID 159623365) is ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane.
What is the SMILES notation for ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane?
The canonical SMILES for ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane is C.CC.CC.Cc1cccc(I)c1S(N)(=O)=O.NS(=O)(=O)c1c(F)cccc1I.
What is the InChIKey of ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane?
The InChIKey is MOEHCHZFWLWLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2S.C6H5FINO2S.2C2H6.CH4/c1-5-3-2-4-6(8)7(5)12(9,10)11;7-4-2-1-3-5(8)6(4)12(9,10)11;2*1-2;/h2-4H,1H3,(H2,9,10,11);1-3H,(H2,9,10,11);2*1-2H3;1H4.
What are the key properties of ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane?
ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane has a molecular weight of 674.38 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane is sourced from PubChem (CID 159623365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).