1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide

C19H14F2I2N2O5S2 — CID 141157193

IUPAC1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2I)cc1S(=O)(=O)Nc1cc(F)ccc1I
InChIInChI=1S/C19H14F2I2N2O5S2/c1-30-18-7-4-13(31(26,27)24-16-8-11(20)2-5-14(16)22)10-19(18)32(28,29)25-17-9-12(21)3-6-15(17)23/h2-10,24-25H,1H3
InChIKeyDIZXOMICGGSXGT-UHFFFAOYSA-N
MW706.27 g/mol
LogP4.78
Rot. Bonds7

About 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide

1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide (PubChem CID 141157193) has the molecular formula C19H14F2I2N2O5S2 and a molecular weight of 706.27 g/mol. Its IUPAC name is 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
PubChem CID141157193
Molecular FormulaC19H14F2I2N2O5S2
Molecular Weight706.27 g/mol
Exact Mass705.84
IUPAC Name1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2I)cc1S(=O)(=O)Nc1cc(F)ccc1I
InChIInChI=1S/C19H14F2I2N2O5S2/c1-30-18-7-4-13(31(26,27)24-16-8-11(20)2-5-14(16)22)10-19(18)32(28,29)25-17-9-12(21)3-6-15(17)23/h2-10,24-25H,1H3
InChIKeyDIZXOMICGGSXGT-UHFFFAOYSA-N
XLogP4.78
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.27
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157303
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157297
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
1-N,3-N-bis(4-chloro-2-fluoro-6-methoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157254
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide?
The IUPAC name of 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide (CID 141157193) is 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide?
The canonical SMILES for 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide is COc1ccc(S(=O)(=O)Nc2cc(F)ccc2I)cc1S(=O)(=O)Nc1cc(F)ccc1I.
What is the InChIKey of 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide?
The InChIKey is DIZXOMICGGSXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2I2N2O5S2/c1-30-18-7-4-13(31(26,27)24-16-8-11(20)2-5-14(16)22)10-19(18)32(28,29)25-17-9-12(21)3-6-15(17)23/h2-10,24-25H,1H3.
What are the key properties of 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide?
1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide has a molecular weight of 706.27 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide is sourced from PubChem (CID 141157193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).