1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide

C19H12F2I2N4O7S2 — CID 141157303

IUPAC1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(F)cc(N=O)cc2I)cc1S(=O)(=O)Nc1c(F)cc(N=O)cc1I
InChIInChI=1S/C19H12F2I2N4O7S2/c1-34-16-3-2-11(35(30,31)26-18-12(20)4-9(24-28)6-14(18)22)8-17(16)36(32,33)27-19-13(21)5-10(25-29)7-15(19)23/h2-8,26-27H,1H3
InChIKeyOIQDKCMTAJJKLZ-UHFFFAOYSA-N
MW764.26 g/mol
LogP5.58
Rot. Bonds9

About 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide

1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide (PubChem CID 141157303) has the molecular formula C19H12F2I2N4O7S2 and a molecular weight of 764.26 g/mol. Its IUPAC name is 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
PubChem CID141157303
Molecular FormulaC19H12F2I2N4O7S2
Molecular Weight764.26 g/mol
Exact Mass763.82
IUPAC Name1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(F)cc(N=O)cc2I)cc1S(=O)(=O)Nc1c(F)cc(N=O)cc1I
InChIInChI=1S/C19H12F2I2N4O7S2/c1-34-16-3-2-11(35(30,31)26-18-12(20)4-9(24-28)6-14(18)22)8-17(16)36(32,33)27-19-13(21)5-10(25-29)7-15(19)23/h2-8,26-27H,1H3
InChIKeyOIQDKCMTAJJKLZ-UHFFFAOYSA-N
XLogP5.58
TPSA160.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.26
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis(4-chloro-2-fluoro-6-methoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157254
1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157193
1-N,3-N-bis(2,6-difluoro-4-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157446
1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157297
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
1-N,3-N-bis(4-fluoro-3-propoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157115
1-N,3-N-bis(2-ethoxy-3-fluorophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157222
1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157396
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
1-N,3-N-bis(3-fluoro-5-propoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157276
2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 110300294

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide?
The IUPAC name of 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide (CID 141157303) is 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide?
The canonical SMILES for 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide is COc1ccc(S(=O)(=O)Nc2c(F)cc(N=O)cc2I)cc1S(=O)(=O)Nc1c(F)cc(N=O)cc1I.
What is the InChIKey of 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide?
The InChIKey is OIQDKCMTAJJKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2I2N4O7S2/c1-34-16-3-2-11(35(30,31)26-18-12(20)4-9(24-28)6-14(18)22)8-17(16)36(32,33)27-19-13(21)5-10(25-29)7-15(19)23/h2-8,26-27H,1H3.
What are the key properties of 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide?
1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide has a molecular weight of 764.26 g/mol, XLogP of 5.58, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide is sourced from PubChem (CID 141157303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).