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

C19H14F2N4O7S2 — CID 141157297

IUPAC1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(N=O)c2F)cc1S(=O)(=O)Nc1cccc(N=O)c1F
InChIInChI=1S/C19H14F2N4O7S2/c1-32-16-9-8-11(33(28,29)24-14-6-2-4-12(22-26)18(14)20)10-17(16)34(30,31)25-15-7-3-5-13(23-27)19(15)21/h2-10,24-25H,1H3
InChIKeyRVEIVLJKMWZWGE-UHFFFAOYSA-N
MW512.47 g/mol
LogP4.37
Rot. Bonds9

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

1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide (PubChem CID 141157297) has the molecular formula C19H14F2N4O7S2 and a molecular weight of 512.47 g/mol. Its IUPAC name is 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
PubChem CID141157297
Molecular FormulaC19H14F2N4O7S2
Molecular Weight512.47 g/mol
Exact Mass512.03
IUPAC Name1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(N=O)c2F)cc1S(=O)(=O)Nc1cccc(N=O)c1F
InChIInChI=1S/C19H14F2N4O7S2/c1-32-16-9-8-11(33(28,29)24-14-6-2-4-12(22-26)18(14)20)10-17(16)34(30,31)25-15-7-3-5-13(23-27)19(15)21/h2-10,24-25H,1H3
InChIKeyRVEIVLJKMWZWGE-UHFFFAOYSA-N
XLogP4.37
TPSA160.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157193
2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 110300294
1-N,3-N-bis(2-fluoro-6-iodo-4-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157303
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
1-N,3-N-bis(4-chloro-2-fluoro-6-methoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157254
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
2-methoxy-N-[2-[(3-nitrophenyl)sulfonylamino]phenyl]-5-(trifluoromethylsulfonyl)benzenesulfonamide
CID 68948180
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide?
The IUPAC name of 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide (CID 141157297) is 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide?
The canonical SMILES for 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(N=O)c2F)cc1S(=O)(=O)Nc1cccc(N=O)c1F.
What is the InChIKey of 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide?
The InChIKey is RVEIVLJKMWZWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O7S2/c1-32-16-9-8-11(33(28,29)24-14-6-2-4-12(22-26)18(14)20)10-17(16)34(30,31)25-15-7-3-5-13(23-27)19(15)21/h2-10,24-25H,1H3.
What are the key properties of 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide?
1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide has a molecular weight of 512.47 g/mol, XLogP of 4.37, 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-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide is sourced from PubChem (CID 141157297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).