2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide

C15H14BrClN2OS — CID 70398091

IUPAC2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide
SMILESBr.NC1(c2ccc(Cl)cc2)CC(=O)Nc2ccccc2S1
InChIInChI=1S/C15H13ClN2OS.BrH/c16-11-7-5-10(6-8-11)15(17)9-14(19)18-12-3-1-2-4-13(12)20-15;/h1-8H,9,17H2,(H,18,19);1H
InChIKeyBNPMOSGHHDPCGH-UHFFFAOYSA-N
MW385.71 g/mol
LogP4.16
Rot. Bonds1

About 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide

2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide (PubChem CID 70398091) has the molecular formula C15H14BrClN2OS and a molecular weight of 385.71 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide
PubChem CID70398091
Molecular FormulaC15H14BrClN2OS
Molecular Weight385.71 g/mol
Exact Mass383.97
IUPAC Name2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide
SMILESBr.NC1(c2ccc(Cl)cc2)CC(=O)Nc2ccccc2S1
InChIInChI=1S/C15H13ClN2OS.BrH/c16-11-7-5-10(6-8-11)15(17)9-14(19)18-12-3-1-2-4-13(12)20-15;/h1-8H,9,17H2,(H,18,19);1H
InChIKeyBNPMOSGHHDPCGH-UHFFFAOYSA-N
XLogP4.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide (CID 70398091) is 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide is Br.NC1(c2ccc(Cl)cc2)CC(=O)Nc2ccccc2S1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide?
The InChIKey is BNPMOSGHHDPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS.BrH/c16-11-7-5-10(6-8-11)15(17)9-14(19)18-12-3-1-2-4-13(12)20-15;/h1-8H,9,17H2,(H,18,19);1H.
What are the key properties of 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide?
2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide has a molecular weight of 385.71 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-3,5-dihydro-1,5-benzothiazepin-4-one;hydrobromide is sourced from PubChem (CID 70398091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).