N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide

C10H14Cl2N2O4S2 — CID 113071964

IUPACN-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H14Cl2N2O4S2/c1-19(15,16)13-5-6-14(20(2,17)18)10-4-3-8(11)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyPQHDDWWAOLBQAG-UHFFFAOYSA-N
MW361.27 g/mol
LogP1.31
Rot. Bonds6

About N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide

N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide (PubChem CID 113071964) has the molecular formula C10H14Cl2N2O4S2 and a molecular weight of 361.27 g/mol. Its IUPAC name is N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
PubChem CID113071964
Molecular FormulaC10H14Cl2N2O4S2
Molecular Weight361.27 g/mol
Exact Mass359.98
IUPAC NameN-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H14Cl2N2O4S2/c1-19(15,16)13-5-6-14(20(2,17)18)10-4-3-8(11)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyPQHDDWWAOLBQAG-UHFFFAOYSA-N
XLogP1.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113071993
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113146504
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113069972
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
N-(2,4-dichlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146493
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30246628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide (CID 113071964) is N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide is CS(=O)(=O)NCCN(c1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide?
The InChIKey is PQHDDWWAOLBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O4S2/c1-19(15,16)13-5-6-14(20(2,17)18)10-4-3-8(11)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide?
N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide has a molecular weight of 361.27 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide is sourced from PubChem (CID 113071964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).