N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide

C17H17ClN2O4S — CID 110367451

IUPACN-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
SMILESO=C1COC(CNS(=O)(=O)c2ccccc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-13-6-8-14(9-7-13)20-11-15(24-12-17(20)21)10-19-25(22,23)16-4-2-1-3-5-16/h1-9,15,19H,10-12H2
InChIKeyHYFVQLVRPWOIIK-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.05
Rot. Bonds5

About N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide

N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 110367451) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
PubChem CID110367451
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
SMILESO=C1COC(CNS(=O)(=O)c2ccccc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-13-6-8-14(9-7-13)20-11-15(24-12-17(20)21)10-19-25(22,23)16-4-2-1-3-5-16/h1-9,15,19H,10-12H2
InChIKeyHYFVQLVRPWOIIK-UHFFFAOYSA-N
XLogP2.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 110367829
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367598
5-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
CID 110367046
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110367066
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367600
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzenesulfonamide
CID 110367909
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
CID 110367052
2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367262
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
CID 110327987

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide (CID 110367451) is N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide is O=C1COC(CNS(=O)(=O)c2ccccc2)CN1c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is HYFVQLVRPWOIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-13-6-8-14(9-7-13)20-11-15(24-12-17(20)21)10-19-25(22,23)16-4-2-1-3-5-16/h1-9,15,19H,10-12H2.
What are the key properties of N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110367451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).