N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

C19H24N2O3S — CID 44573163

IUPACN-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESCOc1c(S(=O)(=O)N(C)Cc2ccccc2)ccc2c1CCNCC2
InChIInChI=1S/C19H24N2O3S/c1-21(14-15-6-4-3-5-7-15)25(22,23)18-9-8-16-10-12-20-13-11-17(16)19(18)24-2/h3-9,20H,10-14H2,1-2H3
InChIKeyUBQWECKSTQXVTO-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.20
Rot. Bonds5

About N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (PubChem CID 44573163) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
PubChem CID44573163
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESCOc1c(S(=O)(=O)N(C)Cc2ccccc2)ccc2c1CCNCC2
InChIInChI=1S/C19H24N2O3S/c1-21(14-15-6-4-3-5-7-15)25(22,23)18-9-8-16-10-12-20-13-11-17(16)19(18)24-2/h3-9,20H,10-14H2,1-2H3
InChIKeyUBQWECKSTQXVTO-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The IUPAC name of N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (CID 44573163) is N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.
What is the SMILES notation for N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The canonical SMILES for N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is COc1c(S(=O)(=O)N(C)Cc2ccccc2)ccc2c1CCNCC2.
What is the InChIKey of N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The InChIKey is UBQWECKSTQXVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-21(14-15-6-4-3-5-7-15)25(22,23)18-9-8-16-10-12-20-13-11-17(16)19(18)24-2/h3-9,20H,10-14H2,1-2H3.
What are the key properties of N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is sourced from PubChem (CID 44573163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).