N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C15H21ClN2O4S — CID 113155009

IUPACN-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1cc(C)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O4S/c1-11-8-12(2)15(13(16)9-11)18(23(3,20)21)10-14(19)17-4-6-22-7-5-17/h8-9H,4-7,10H2,1-3H3
InChIKeySTSATKMTZIKPNB-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.58
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 113155009) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID113155009
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1cc(C)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O4S/c1-11-8-12(2)15(13(16)9-11)18(23(3,20)21)10-14(19)17-4-6-22-7-5-17/h8-9H,4-7,10H2,1-3H3
InChIKeySTSATKMTZIKPNB-UHFFFAOYSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113156941
N-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 765932
N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113155035
N-(5-chloro-2-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 1100137
N-(1-methylpyrazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 162634930
N-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 6459025
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113155010
N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30278155
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155053
N-(2-methoxy-4-pyridinyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 165427573
N-(2-morpholin-4-yl-2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50944502
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dimethylphenyl)methanesulfonamide
CID 126155523

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 113155009) is N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is Cc1cc(C)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is STSATKMTZIKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-11-8-12(2)15(13(16)9-11)18(23(3,20)21)10-14(19)17-4-6-22-7-5-17/h8-9H,4-7,10H2,1-3H3.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 360.86 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 113155009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).