4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide

C18H21ClN2O3S — CID 113069060

IUPAC4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1cccc(C)c1N(CCNC(=O)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-13-5-4-6-14(2)17(13)21(25(3,23)24)12-11-20-18(22)15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyFSFOHYGGFPKEKI-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.15
Rot. Bonds6

About 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide

4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113069060) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113069060
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1cccc(C)c1N(CCNC(=O)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-13-5-4-6-14(2)17(13)21(25(3,23)24)12-11-20-18(22)15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyFSFOHYGGFPKEKI-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

N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069873
4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070383
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
N-[2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113070232
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide (CID 113069060) is 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide is Cc1cccc(C)c1N(CCNC(=O)c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is FSFOHYGGFPKEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-5-4-6-14(2)17(13)21(25(3,23)24)12-11-20-18(22)15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide?
4-chloro-N-[2-(2,6-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 4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113069060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).