3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine

C14H13ClN2O2S — CID 6455405

IUPAC3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine
SMILESCN1c2ccccc2C(N)c2ccc(Cl)cc2S1(=O)=O
InChIInChI=1S/C14H13ClN2O2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,16H2,1H3
InChIKeyIGSJOGMOHGCKOZ-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.53
Rot. Bonds

About 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine

3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine (PubChem CID 6455405) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine.

Molecular Properties

Compound Name3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine
PubChem CID6455405
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine
SMILESCN1c2ccccc2C(N)c2ccc(Cl)cc2S1(=O)=O
InChIInChI=1S/C14H13ClN2O2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,16H2,1H3
InChIKeyIGSJOGMOHGCKOZ-UHFFFAOYSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,11-Dichloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepine 5,5-dioxide
CID 13938203
4-chloro-N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]benzenesulfonamide
CID 71259156
N-(3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)benzenesulfonamide
CID 71259195
4-chloro-N-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)benzenesulfonamide
CID 71259257
N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-fluorobenzenesulfonamide
CID 71263390
N-(3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)-4-methylbenzenesulfonamide
CID 71263391
4-Chloro-N-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-methylpropyl)benzenesulfonamide
CID 71263426
11-Amino-3-chloro-6,11-dihydro-5,5-dioxo-6-methyl-dibenzo(c,f)(1,2)thiazepine hydrochloride
CID 18434016
4-chloro-N-[4-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]benzenesulfonamide
CID 122188421
N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]propane-2-sulfonamide
CID 122188428
4-chloro-N-[3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]benzenesulfonamide
CID 122188525
5-chloro-2-methyl-N-(2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl)benzenesulfonamide
CID 16837665

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine?
The IUPAC name of 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine (CID 6455405) is 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine.
What is the SMILES notation for 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine?
The canonical SMILES for 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine is CN1c2ccccc2C(N)c2ccc(Cl)cc2S1(=O)=O.
What is the InChIKey of 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine?
The InChIKey is IGSJOGMOHGCKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,16H2,1H3.
What are the key properties of 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine?
3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine has a molecular weight of 308.79 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-amine is sourced from PubChem (CID 6455405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).