2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

C16H20N2O3S — CID 47029568

IUPAC2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C16H20N2O3S/c1-3-10-18(11-4-2)22(20,21)14-8-9-15-13(12-14)6-5-7-16(19)17-15/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,17,19)
InChIKeyBPVICFGALVDUTI-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.32
Rot. Bonds6

About 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 47029568) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound Name2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID47029568
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C16H20N2O3S/c1-3-10-18(11-4-2)22(20,21)14-8-9-15-13(12-14)6-5-7-16(19)17-15/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,17,19)
InChIKeyBPVICFGALVDUTI-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 47029568) is 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is BPVICFGALVDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-10-18(11-4-2)22(20,21)14-8-9-15-13(12-14)6-5-7-16(19)17-15/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,17,19).
What are the key properties of 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 47029568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).