3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide

C13H18Cl2N2O3S — CID 113064977

IUPAC3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(2)17(21(3,19)20)7-6-16-13(18)10-4-5-11(14)12(15)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeySSJOIEXHSJWUFF-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.39
Rot. Bonds6

About 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide

3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 113064977) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID113064977
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(2)17(21(3,19)20)7-6-16-13(18)10-4-5-11(14)12(15)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeySSJOIEXHSJWUFF-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide 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-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064982
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3,4-dimethylbenzamide
CID 113065594
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
2-[carboxy-[2-[(3,4-dichlorobenzoyl)amino]ethyl]amino]-4-methylpentanoic acid
CID 22143949
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide (CID 113064977) is 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide is CC(C)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is SSJOIEXHSJWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-9(2)17(21(3,19)20)7-6-16-13(18)10-4-5-11(14)12(15)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide?
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 353.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 113064977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).