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

C17H20N2O2S — CID 44573157

IUPACN-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C17H20N2O2S/c1-19(16-5-3-2-4-6-16)22(20,21)17-8-7-14-9-11-18-12-10-15(14)13-17/h2-8,13,18H,9-12H2,1H3
InChIKeyDIZZADVCOPMWQC-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.20
Rot. Bonds3

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

N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (PubChem CID 44573157) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
PubChem CID44573157
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C17H20N2O2S/c1-19(16-5-3-2-4-6-16)22(20,21)17-8-7-14-9-11-18-12-10-15(14)13-17/h2-8,13,18H,9-12H2,1H3
InChIKeyDIZZADVCOPMWQC-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
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-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The IUPAC name of N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (CID 44573157) is N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The canonical SMILES for N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2.
What is the InChIKey of N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The InChIKey is DIZZADVCOPMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-19(16-5-3-2-4-6-16)22(20,21)17-8-7-14-9-11-18-12-10-15(14)13-17/h2-8,13,18H,9-12H2,1H3.
What are the key properties of N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is sourced from PubChem (CID 44573157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).