N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide

C17H19ClN2O3S — CID 113069873

IUPACN-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-6-8-14(9-7-13)17(21)19-10-11-20(24(2,22)23)16-5-3-4-15(18)12-16/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyMCLTUGPOAXUUQJ-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide

N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide (PubChem CID 113069873) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
PubChem CID113069873
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-6-8-14(9-7-13)17(21)19-10-11-20(24(2,22)23)16-5-3-4-15(18)12-16/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyMCLTUGPOAXUUQJ-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069900
4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113071489
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068979
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide (CID 113069873) is N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide?
The InChIKey is MCLTUGPOAXUUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-6-8-14(9-7-13)17(21)19-10-11-20(24(2,22)23)16-5-3-4-15(18)12-16/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide?
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 113069873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).