N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

C18H22N2O2S — CID 44573219

IUPACN-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C18H22N2O2S/c1-20(14-15-5-3-2-4-6-15)23(21,22)18-8-7-16-9-11-19-12-10-17(16)13-18/h2-8,13,19H,9-12,14H2,1H3
InChIKeyJHQGAWPRLWOPNO-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.20
Rot. Bonds4

About N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (PubChem CID 44573219) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
PubChem CID44573219
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C18H22N2O2S/c1-20(14-15-5-3-2-4-6-15)23(21,22)18-8-7-16-9-11-19-12-10-17(16)13-18/h2-8,13,19H,9-12,14H2,1H3
InChIKeyJHQGAWPRLWOPNO-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (CID 44573219) is N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2.
What is the InChIKey of N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The InChIKey is JHQGAWPRLWOPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-20(14-15-5-3-2-4-6-15)23(21,22)18-8-7-16-9-11-19-12-10-17(16)13-18/h2-8,13,19H,9-12,14H2,1H3.
What are the key properties of N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is sourced from PubChem (CID 44573219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).