5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide

C13H19ClN2O3S — CID 43346819

IUPAC5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCCCCl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-16(2)20(18,19)12-7-5-6-11(10-12)15-13(17)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyYDDUYCPMSWOFLA-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.28
Rot. Bonds7

About 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide

5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide (PubChem CID 43346819) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
PubChem CID43346819
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCCCCl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-16(2)20(18,19)12-7-5-6-11(10-12)15-13(17)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyYDDUYCPMSWOFLA-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide 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

4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide (CID 43346819) is 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CCCCCl)c1.
What is the InChIKey of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide?
The InChIKey is YDDUYCPMSWOFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-16(2)20(18,19)12-7-5-6-11(10-12)15-13(17)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide?
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide has a molecular weight of 318.83 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 43346819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).