7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol

C24H23F2NO3S — CID 11385214

IUPAC7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
SMILESCN1CCc2cc(O)c(S(=O)(=O)c3ccc(Cc4ccc(F)cc4F)cc3)cc2CC1
InChIInChI=1S/C24H23F2NO3S/c1-27-10-8-17-13-23(28)24(14-18(17)9-11-27)31(29,30)21-6-2-16(3-7-21)12-19-4-5-20(25)15-22(19)26/h2-7,13-15,28H,8-12H2,1H3
InChIKeyUGHCHJMIMQTYPJ-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.12
Rot. Bonds4

About 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol

7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol (PubChem CID 11385214) has the molecular formula C24H23F2NO3S and a molecular weight of 443.52 g/mol. Its IUPAC name is 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol.

Molecular Properties

Compound Name7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
PubChem CID11385214
Molecular FormulaC24H23F2NO3S
Molecular Weight443.52 g/mol
Exact Mass443.14
IUPAC Name7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
SMILESCN1CCc2cc(O)c(S(=O)(=O)c3ccc(Cc4ccc(F)cc4F)cc3)cc2CC1
InChIInChI=1S/C24H23F2NO3S/c1-27-10-8-17-13-23(28)24(14-18(17)9-11-27)31(29,30)21-6-2-16(3-7-21)12-19-4-5-20(25)15-22(19)26/h2-7,13-15,28H,8-12H2,1H3
InChIKeyUGHCHJMIMQTYPJ-UHFFFAOYSA-N
XLogP4.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol?
The IUPAC name of 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol (CID 11385214) is 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol.
What is the SMILES notation for 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol?
The canonical SMILES for 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol is CN1CCc2cc(O)c(S(=O)(=O)c3ccc(Cc4ccc(F)cc4F)cc3)cc2CC1.
What is the InChIKey of 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol?
The InChIKey is UGHCHJMIMQTYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3S/c1-27-10-8-17-13-23(28)24(14-18(17)9-11-27)31(29,30)21-6-2-16(3-7-21)12-19-4-5-20(25)15-22(19)26/h2-7,13-15,28H,8-12H2,1H3.
What are the key properties of 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol?
7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol has a molecular weight of 443.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(2,4-difluorophenyl)methyl]phenyl]sulfonyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol is sourced from PubChem (CID 11385214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).