N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide

C23H22ClN3O3S2 — CID 3314091

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)ccc1Cl
InChIInChI=1S/C23H22ClN3O3S2/c1-26(2)32(29,30)22-15-16(11-12-17(22)24)25-23(28)13-14-27-18-7-3-5-9-20(18)31-21-10-6-4-8-19(21)27/h3-12,15H,13-14H2,1-2H3,(H,25,28)
InChIKeyYBGHQCCZNMZERM-UHFFFAOYSA-N
MW488.03 g/mol
LogP5.22
Rot. Bonds6

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide (PubChem CID 3314091) has the molecular formula C23H22ClN3O3S2 and a molecular weight of 488.03 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide
PubChem CID3314091
Molecular FormulaC23H22ClN3O3S2
Molecular Weight488.03 g/mol
Exact Mass487.08
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)ccc1Cl
InChIInChI=1S/C23H22ClN3O3S2/c1-26(2)32(29,30)22-15-16(11-12-17(22)24)25-23(28)13-14-27-18-7-3-5-9-20(18)31-21-10-6-4-8-19(21)27/h3-12,15H,13-14H2,1-2H3,(H,25,28)
InChIKeyYBGHQCCZNMZERM-UHFFFAOYSA-N
XLogP5.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide 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

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
N-[4-(dimethylsulfamoyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9328731
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591753
3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
CID 2106288
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide
CID 100680707
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249658
3-phenothiazin-10-yl-N'-phenylpropanehydrazide
CID 78775040
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate
CID 3972790
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
CID 4883079
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 3514819

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide (CID 3314091) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide is CN(C)S(=O)(=O)c1cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide?
The InChIKey is YBGHQCCZNMZERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S2/c1-26(2)32(29,30)22-15-16(11-12-17(22)24)25-23(28)13-14-27-18-7-3-5-9-20(18)31-21-10-6-4-8-19(21)27/h3-12,15H,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide has a molecular weight of 488.03 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 3314091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).