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

C25H28F2N2O7S2 — CID 141157396

IUPAC1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)c2OC(C)C)cc1S(=O)(=O)Nc1cccc(F)c1OC(C)C
InChIInChI=1S/C25H28F2N2O7S2/c1-15(2)35-24-18(26)8-6-10-20(24)28-37(30,31)17-12-13-22(34-5)23(14-17)38(32,33)29-21-11-7-9-19(27)25(21)36-16(3)4/h6-16,28-29H,1-5H3
InChIKeyGPCKKRWITVOMLM-UHFFFAOYSA-N
MW570.64 g/mol
LogP5.15
Rot. Bonds11

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

1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide (PubChem CID 141157396) has the molecular formula C25H28F2N2O7S2 and a molecular weight of 570.64 g/mol. Its IUPAC name is 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide
PubChem CID141157396
Molecular FormulaC25H28F2N2O7S2
Molecular Weight570.64 g/mol
Exact Mass570.13
IUPAC Name1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)c2OC(C)C)cc1S(=O)(=O)Nc1cccc(F)c1OC(C)C
InChIInChI=1S/C25H28F2N2O7S2/c1-15(2)35-24-18(26)8-6-10-20(24)28-37(30,31)17-12-13-22(34-5)23(14-17)38(32,33)29-21-11-7-9-19(27)25(21)36-16(3)4/h6-16,28-29H,1-5H3
InChIKeyGPCKKRWITVOMLM-UHFFFAOYSA-N
XLogP5.15
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-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(2-ethoxy-3-fluorophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157222
1-N,3-N-bis(2,6-difluoro-4-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157446
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157297
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157193
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
1-N,3-N-bis(4-chloro-2-fluoro-6-methoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157254
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide?
The IUPAC name of 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide (CID 141157396) is 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide?
The canonical SMILES for 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(F)c2OC(C)C)cc1S(=O)(=O)Nc1cccc(F)c1OC(C)C.
What is the InChIKey of 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide?
The InChIKey is GPCKKRWITVOMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O7S2/c1-15(2)35-24-18(26)8-6-10-20(24)28-37(30,31)17-12-13-22(34-5)23(14-17)38(32,33)29-21-11-7-9-19(27)25(21)36-16(3)4/h6-16,28-29H,1-5H3.
What are the key properties of 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide?
1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide has a molecular weight of 570.64 g/mol, XLogP of 5.15, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide is sourced from PubChem (CID 141157396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).