4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide

C23H23ClN2O2S — CID 10173403

IUPAC4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide
SMILESCN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1
InChIInChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3
InChIKeyFLVVAVLMHCUYGY-UHFFFAOYSA-N
MW426.97 g/mol
LogP4.84
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide

4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide (PubChem CID 10173403) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide
PubChem CID10173403
Molecular FormulaC23H23ClN2O2S
Molecular Weight426.97 g/mol
Exact Mass426.12
IUPAC Name4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide
SMILESCN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1
InChIInChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3
InChIKeyFLVVAVLMHCUYGY-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide (CID 10173403) is 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide is CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide?
The InChIKey is FLVVAVLMHCUYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide?
4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide has a molecular weight of 426.97 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide is sourced from PubChem (CID 10173403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).