N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

C20H23ClN4O7S2 — CID 18561505

IUPACN'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN4O7S2/c21-15-3-7-17(8-4-15)34(30,31)25-11-12-32-18(25)13-24-20(27)19(26)23-10-9-14-1-5-16(6-2-14)33(22,28)29/h1-8,18H,9-13H2,(H,23,26)(H,24,27)(H2,22,28,29)
InChIKeyDWACEVXNXOFABP-UHFFFAOYSA-N
MW531.01 g/mol
LogP-0.19
Rot. Bonds8

About N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 18561505) has the molecular formula C20H23ClN4O7S2 and a molecular weight of 531.01 g/mol. Its IUPAC name is N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID18561505
Molecular FormulaC20H23ClN4O7S2
Molecular Weight531.01 g/mol
Exact Mass530.07
IUPAC NameN'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN4O7S2/c21-15-3-7-17(8-4-15)34(30,31)25-11-12-32-18(25)13-24-20(27)19(26)23-10-9-14-1-5-16(6-2-14)33(22,28)29/h1-8,18H,9-13H2,(H,23,26)(H,24,27)(H2,22,28,29)
InChIKeyDWACEVXNXOFABP-UHFFFAOYSA-N
XLogP-0.19
TPSA164.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.01
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 18561505) is N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is DWACEVXNXOFABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O7S2/c21-15-3-7-17(8-4-15)34(30,31)25-11-12-32-18(25)13-24-20(27)19(26)23-10-9-14-1-5-16(6-2-14)33(22,28)29/h1-8,18H,9-13H2,(H,23,26)(H,24,27)(H2,22,28,29).
What are the key properties of N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 531.01 g/mol, XLogP of -0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 18561505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).