N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide

C14H20N2O3S — CID 114336702

IUPACN,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C14H20N2O3S/c1-3-15(4-2)20(18,19)16-11-7-10-14(17)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyAGSCEICIGFUPTR-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.06
Rot. Bonds4

About N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide

N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide (PubChem CID 114336702) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
PubChem CID114336702
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C14H20N2O3S/c1-3-15(4-2)20(18,19)16-11-7-10-14(17)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyAGSCEICIGFUPTR-UHFFFAOYSA-N
XLogP2.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336701
5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114959228
1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336688
N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114808679
6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28783515
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336724
N,N-diethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide
CID 63101418
N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide
CID 110424746
4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide
CID 110612614
(5Z)-5-hydroxyimino-N-methyl-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114337149
1-(2-ethyl-2-hydroxybutyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114493908
1-(2-ethoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336708

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The IUPAC name of N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide (CID 114336702) is N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCC(=O)c2ccccc21.
What is the InChIKey of N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The InChIKey is AGSCEICIGFUPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-15(4-2)20(18,19)16-11-7-10-14(17)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide is sourced from PubChem (CID 114336702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).