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

C14H19ClN2O5S — CID 999470

IUPACN-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C14H19ClN2O5S/c1-21-13-4-3-11(9-12(13)15)17(23(2,19)20)10-14(18)16-5-7-22-8-6-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyLSBZLDZLQVRDQY-UHFFFAOYSA-N
MW362.84 g/mol
LogP0.97
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 999470) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID999470
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C14H19ClN2O5S/c1-21-13-4-3-11(9-12(13)15)17(23(2,19)20)10-14(18)16-5-7-22-8-6-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyLSBZLDZLQVRDQY-UHFFFAOYSA-N
XLogP0.97
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 655066
N-(3-chloro-4-methoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 894133
N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 999494
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1148718
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)methanesulfonamide
CID 1208558
N-[(4-chlorophenyl)methyl]-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 2240890
N-(3-chloro-4-methoxyphenyl)-2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}acetamide
CID 2264774
N-(3-chloro-4-methoxyphenyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]methanesulfonamide
CID 2279840
Cambridge id 6746060
CID 2912764
N~1~-(3-chloro-4-methoxyphenyl)-N~2~-[(dimethylamino)sulfonyl]-N~2~-phenylglycinamide
CID 2972538
N-(3-chloro-4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2986838

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 999470) is N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is COc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is LSBZLDZLQVRDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-21-13-4-3-11(9-12(13)15)17(23(2,19)20)10-14(18)16-5-7-22-8-6-16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 999470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).