4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide

C22H20ClN5O4S — CID 68714469

IUPAC4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide
SMILES[H]/N=C1\OCCN1c1ccc(N(c2ccncc2NC(=O)c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H20ClN5O4S/c1-33(30,31)28(18-8-6-17(7-9-18)27-12-13-32-22(27)24)20-10-11-25-14-19(20)26-21(29)15-2-4-16(23)5-3-15/h2-11,14,24H,12-13H2,1H3,(H,26,29)/b24-22-
InChIKeyJUEGQMHDEOYANB-GYHWCHFESA-N
MW485.95 g/mol
LogP3.86
Rot. Bonds6

About 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide

4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide (PubChem CID 68714469) has the molecular formula C22H20ClN5O4S and a molecular weight of 485.95 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide
PubChem CID68714469
Molecular FormulaC22H20ClN5O4S
Molecular Weight485.95 g/mol
Exact Mass485.09
IUPAC Name4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide
SMILES[H]/N=C1\OCCN1c1ccc(N(c2ccncc2NC(=O)c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H20ClN5O4S/c1-33(30,31)28(18-8-6-17(7-9-18)27-12-13-32-22(27)24)20-10-11-25-14-19(20)26-21(29)15-2-4-16(23)5-3-15/h2-11,14,24H,12-13H2,1H3,(H,26,29)/b24-22-
InChIKeyJUEGQMHDEOYANB-GYHWCHFESA-N
XLogP3.86
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide (CID 68714469) is 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide is [H]/N=C1\OCCN1c1ccc(N(c2ccncc2NC(=O)c2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide?
The InChIKey is JUEGQMHDEOYANB-GYHWCHFESA-N. The full InChI is InChI=1S/C22H20ClN5O4S/c1-33(30,31)28(18-8-6-17(7-9-18)27-12-13-32-22(27)24)20-10-11-25-14-19(20)26-21(29)15-2-4-16(23)5-3-15/h2-11,14,24H,12-13H2,1H3,(H,26,29)/b24-22-.
What are the key properties of 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide?
4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide has a molecular weight of 485.95 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-(2-imino-1,3-oxazolidin-3-yl)-N-methylsulfonylanilino]-3-pyridinyl]benzamide is sourced from PubChem (CID 68714469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).