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

C21H20F2N2O5S2 — CID 138393240

IUPAC1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1S(=O)(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C21H20F2N2O5S2/c1-13-10-15(22)4-7-18(13)24-31(26,27)17-6-9-20(30-3)21(12-17)32(28,29)25-19-8-5-16(23)11-14(19)2/h4-12,24-25H,1-3H3
InChIKeyHVAGFOIYWQMYMN-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.19
Rot. Bonds7

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

1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide (PubChem CID 138393240) has the molecular formula C21H20F2N2O5S2 and a molecular weight of 482.53 g/mol. Its IUPAC name is 1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
PubChem CID138393240
Molecular FormulaC21H20F2N2O5S2
Molecular Weight482.53 g/mol
Exact Mass482.08
IUPAC Name1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1S(=O)(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C21H20F2N2O5S2/c1-13-10-15(22)4-7-18(13)24-31(26,27)17-6-9-20(30-3)21(12-17)32(28,29)25-19-8-5-16(23)11-14(19)2/h4-12,24-25H,1-3H3
InChIKeyHVAGFOIYWQMYMN-UHFFFAOYSA-N
XLogP4.19
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N,3-N-bis(4-fluoro-2-methylphenyl)-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(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157193
N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 4815997
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300241
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
5-[[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-(4-fluoro-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 98296364
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide?
The IUPAC name of 1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide (CID 138393240) is 1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide?
The canonical SMILES for 1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1S(=O)(=O)Nc1ccc(F)cc1C.
What is the InChIKey of 1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide?
The InChIKey is HVAGFOIYWQMYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O5S2/c1-13-10-15(22)4-7-18(13)24-31(26,27)17-6-9-20(30-3)21(12-17)32(28,29)25-19-8-5-16(23)11-14(19)2/h4-12,24-25H,1-3H3.
What are the key properties of 1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide?
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide has a molecular weight of 482.53 g/mol, XLogP of 4.19, 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(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide is sourced from PubChem (CID 138393240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).