N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

C17H19ClN2O2S — CID 44573154

IUPACN-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C17H19ClN2O2S/c18-17-4-2-1-3-15(17)12-20-23(21,22)16-6-5-13-7-9-19-10-8-14(13)11-16/h1-6,11,19-20H,7-10,12H2
InChIKeyZHAPIVDSOYQLEM-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.51
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (PubChem CID 44573154) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
PubChem CID44573154
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C17H19ClN2O2S/c18-17-4-2-1-3-15(17)12-20-23(21,22)16-6-5-13-7-9-19-10-8-14(13)11-16/h1-6,11,19-20H,7-10,12H2
InChIKeyZHAPIVDSOYQLEM-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (CID 44573154) is N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCNCC2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The InChIKey is ZHAPIVDSOYQLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-17-4-2-1-3-15(17)12-20-23(21,22)16-6-5-13-7-9-19-10-8-14(13)11-16/h1-6,11,19-20H,7-10,12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide has a molecular weight of 350.87 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is sourced from PubChem (CID 44573154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).