4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide

C22H22N2O2S — CID 58015357

IUPAC4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2S/c25-27(26,22-10-7-18(8-11-22)17-4-2-1-3-5-17)24-21-9-6-19-12-14-23-15-13-20(19)16-21/h1-11,16,23-24H,12-15H2
InChIKeyAJLFMXKIDINEAX-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.84
Rot. Bonds4

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

4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide (PubChem CID 58015357) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
PubChem CID58015357
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2S/c25-27(26,22-10-7-18(8-11-22)17-4-2-1-3-5-17)24-21-9-6-19-12-14-23-15-13-20(19)16-21/h1-11,16,23-24H,12-15H2
InChIKeyAJLFMXKIDINEAX-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-[4-(phenylsulfamoyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18274203
6-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-sulfonamide
CID 126621995
N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46331649
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The IUPAC name of 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide (CID 58015357) is 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The InChIKey is AJLFMXKIDINEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-27(26,22-10-7-18(8-11-22)17-4-2-1-3-5-17)24-21-9-6-19-12-14-23-15-13-20(19)16-21/h1-11,16,23-24H,12-15H2.
What are the key properties of 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide is sourced from PubChem (CID 58015357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).