N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide

C19H21FN2O3S — CID 157011299

IUPACN-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCc2ccccc2C1)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)22(18-10-4-9-17(20)12-18)14-19(23)21-11-5-8-15-6-2-3-7-16(15)13-21/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3
InChIKeyDIMYHMWIOLNABD-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.57
Rot. Bonds4

About N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide

N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide (PubChem CID 157011299) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide
PubChem CID157011299
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCc2ccccc2C1)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)22(18-10-4-9-17(20)12-18)14-19(23)21-11-5-8-15-6-2-3-7-16(15)13-21/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3
InChIKeyDIMYHMWIOLNABD-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide (CID 157011299) is N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCc2ccccc2C1)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide?
The InChIKey is DIMYHMWIOLNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-26(24,25)22(18-10-4-9-17(20)12-18)14-19(23)21-11-5-8-15-6-2-3-7-16(15)13-21/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide?
N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 157011299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).