4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride

C25H29ClFN3O3S — CID 10346073

IUPAC4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccc(NCc3ccc(F)cc3)cc1)CCN(C)CC2.Cl
InChIInChI=1S/C25H28FN3O3S.ClH/c1-29-13-11-19-15-24(25(32-2)16-20(19)12-14-29)28-33(30,31)23-9-7-22(8-10-23)27-17-18-3-5-21(26)6-4-18;/h3-10,15-16,27-28H,11-14,17H2,1-2H3;1H
InChIKeyIVANGSOIZRBRQV-UHFFFAOYSA-N
MW506.04 g/mol
LogP4.70
Rot. Bonds7

About 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride

4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride (PubChem CID 10346073) has the molecular formula C25H29ClFN3O3S and a molecular weight of 506.04 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride
PubChem CID10346073
Molecular FormulaC25H29ClFN3O3S
Molecular Weight506.04 g/mol
Exact Mass505.16
IUPAC Name4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride
SMILESCOc1cc2c(cc1NS(=O)(=O)c1ccc(NCc3ccc(F)cc3)cc1)CCN(C)CC2.Cl
InChIInChI=1S/C25H28FN3O3S.ClH/c1-29-13-11-19-15-24(25(32-2)16-20(19)12-14-29)28-33(30,31)23-9-7-22(8-10-23)27-17-18-3-5-21(26)6-4-18;/h3-10,15-16,27-28H,11-14,17H2,1-2H3;1H
InChIKeyIVANGSOIZRBRQV-UHFFFAOYSA-N
XLogP4.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.04
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride 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

N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
4-[(4-fluorophenyl)methyl-methylamino]-N-[3-methoxy-7-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]benzenesulfonamide
CID 142827887
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
N-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 90704573
N-(4-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
CID 118074227
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 122188621

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride (CID 10346073) is 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride is COc1cc2c(cc1NS(=O)(=O)c1ccc(NCc3ccc(F)cc3)cc1)CCN(C)CC2.Cl.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride?
The InChIKey is IVANGSOIZRBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3S.ClH/c1-29-13-11-19-15-24(25(32-2)16-20(19)12-14-29)28-33(30,31)23-9-7-22(8-10-23)27-17-18-3-5-21(26)6-4-18;/h3-10,15-16,27-28H,11-14,17H2,1-2H3;1H.
What are the key properties of 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride?
4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride has a molecular weight of 506.04 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 10346073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).