N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C14H19ClN2O4S — CID 846437

IUPACN-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-11-3-4-12(9-13(11)15)17(22(2,19)20)10-14(18)16-5-7-21-8-6-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyNNVVWNSHPCBEON-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.27
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 846437) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID846437
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-11-3-4-12(9-13(11)15)17(22(2,19)20)10-14(18)16-5-7-21-8-6-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyNNVVWNSHPCBEON-UHFFFAOYSA-N
XLogP1.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N-(4-Isopropyl-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846512
3-Chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 729270
N-(2-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 694747
N-(3,4-dimethylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 764241
N-(4-Chloro-3-trifluoromethyl-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-methanesulfonamide
CID 1082295
2-[(4-Methylphenyl)(methylsulfonyl)amino]-1-morpholin-4-ylethan-1-one
CID 1095117
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide
CID 2897602
N-(4-Chloro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846801
N-(4-Ethyl-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 887121
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 648161

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 846437) is N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is Cc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is NNVVWNSHPCBEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-11-3-4-12(9-13(11)15)17(22(2,19)20)10-14(18)16-5-7-21-8-6-16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 846437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).