3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide

C18H21ClN2O3S — CID 113068799

IUPAC3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1ccc(N(CCNC(=O)c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13-7-8-17(14(2)11-13)21(25(3,23)24)10-9-20-18(22)15-5-4-6-16(19)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyKPDVSVHALCVMTM-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.15
Rot. Bonds6

About 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide

3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113068799) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113068799
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1ccc(N(CCNC(=O)c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13-7-8-17(14(2)11-13)21(25(3,23)24)10-9-20-18(22)15-5-4-6-16(19)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyKPDVSVHALCVMTM-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069873
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide (CID 113068799) is 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide is Cc1ccc(N(CCNC(=O)c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is KPDVSVHALCVMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-7-8-17(14(2)11-13)21(25(3,23)24)10-9-20-18(22)15-5-4-6-16(19)12-15/h4-8,11-12H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide?
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113068799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).