N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide

C20H25ClN2O2S — CID 123581917

IUPACN-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(Cc1ccc(Cl)cc1)c1ccc2c(c1)CNCCC2
InChIInChI=1S/C20H25ClN2O2S/c1-2-26(24,25)23-20(12-15-5-9-19(21)10-6-15)17-8-7-16-4-3-11-22-14-18(16)13-17/h5-10,13,20,22-23H,2-4,11-12,14H2,1H3
InChIKeyHOKIMXXPHXGCDX-UHFFFAOYSA-N
MW392.95 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide

N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide (PubChem CID 123581917) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide
PubChem CID123581917
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC NameN-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(Cc1ccc(Cl)cc1)c1ccc2c(c1)CNCCC2
InChIInChI=1S/C20H25ClN2O2S/c1-2-26(24,25)23-20(12-15-5-9-19(21)10-6-15)17-8-7-16-4-3-11-22-14-18(16)13-17/h5-10,13,20,22-23H,2-4,11-12,14H2,1H3
InChIKeyHOKIMXXPHXGCDX-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide with MolForge

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Related Compounds

N-[2-(4-fluorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 123533967
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 134590925
N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43488967
7-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104140
3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191080
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 90729657
1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide
CID 133188939
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide (CID 123581917) is N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(Cc1ccc(Cl)cc1)c1ccc2c(c1)CNCCC2.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide?
The InChIKey is HOKIMXXPHXGCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-2-26(24,25)23-20(12-15-5-9-19(21)10-6-15)17-8-7-16-4-3-11-22-14-18(16)13-17/h5-10,13,20,22-23H,2-4,11-12,14H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide?
N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide has a molecular weight of 392.95 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 123581917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).