2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide

C25H29N3O8S2 — CID 25001240

IUPAC2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NS(=O)(=O)c3ccc(N)cc3N)c2)c(OC)c1
InChIInChI=1S/C25H29N3O8S2/c1-33-18-13-23(35-3)19(24(14-18)36-4)9-10-37(29,30)15-16-5-7-22(34-2)21(11-16)28-38(31,32)25-8-6-17(26)12-20(25)27/h5-14,28H,15,26-27H2,1-4H3/b10-9+
InChIKeyIEWPRLXDJNFDKA-MDZDMXLPSA-N
MW563.65 g/mol
LogP3.27
Rot. Bonds11

About 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide

2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide (PubChem CID 25001240) has the molecular formula C25H29N3O8S2 and a molecular weight of 563.65 g/mol. Its IUPAC name is 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide
PubChem CID25001240
Molecular FormulaC25H29N3O8S2
Molecular Weight563.65 g/mol
Exact Mass563.14
IUPAC Name2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NS(=O)(=O)c3ccc(N)cc3N)c2)c(OC)c1
InChIInChI=1S/C25H29N3O8S2/c1-33-18-13-23(35-3)19(24(14-18)36-4)9-10-37(29,30)15-16-5-7-22(34-2)21(11-16)28-38(31,32)25-8-6-17(26)12-20(25)27/h5-14,28H,15,26-27H2,1-4H3/b10-9+
InChIKeyIEWPRLXDJNFDKA-MDZDMXLPSA-N
XLogP3.27
TPSA169.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.65
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide 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

2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonothioamide
CID 88882906
2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 6918736
methyl N-[2-methoxy-5-[[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]carbamate
CID 142801174
2-hydroxy-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-2-methylpropanamide
CID 10345049
sodium;hydride;2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid
CID 173010380
2-methoxy-N-[(1Z)-3-methylbuta-1,3-dienyl]-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]aniline
CID 126560347
methyl (2S)-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]propanoate
CID 70685313
(E)-1-(3,4-dimethoxyphenyl)-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]prop-2-en-1-one
CID 126519311
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 3,5-diaminobenzoate
CID 11443926
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54587451
(E)-1-(4-chlorophenyl)-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]prop-2-en-1-one
CID 126519354
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]guanidine
CID 85096180

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide (CID 25001240) is 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide is COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NS(=O)(=O)c3ccc(N)cc3N)c2)c(OC)c1.
What is the InChIKey of 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide?
The InChIKey is IEWPRLXDJNFDKA-MDZDMXLPSA-N. The full InChI is InChI=1S/C25H29N3O8S2/c1-33-18-13-23(35-3)19(24(14-18)36-4)9-10-37(29,30)15-16-5-7-22(34-2)21(11-16)28-38(31,32)25-8-6-17(26)12-20(25)27/h5-14,28H,15,26-27H2,1-4H3/b10-9+.
What are the key properties of 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide?
2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide has a molecular weight of 563.65 g/mol, XLogP of 3.27, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25001240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).