2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide

C26H23Cl3N4O5S — CID 123259288

IUPAC2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
SMILESO=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CC(CCN1CCCC1=O)O2)c1c(Cl)cccc1Cl
InChIInChI=1S/C26H23Cl3N4O5S/c27-16-4-1-5-19(12-16)39(36,37)33-15-18(9-11-32-10-3-8-23(32)34)38-26-22(33)13-17(14-30-26)31-25(35)24-20(28)6-2-7-21(24)29/h1-2,4-7,12-14,18H,3,8-11,15H2,(H,31,35)
InChIKeyDKWRFWPZLLRTBQ-UHFFFAOYSA-N
MW609.92 g/mol
LogP5.26
Rot. Bonds7

About 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide

2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide (PubChem CID 123259288) has the molecular formula C26H23Cl3N4O5S and a molecular weight of 609.92 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
PubChem CID123259288
Molecular FormulaC26H23Cl3N4O5S
Molecular Weight609.92 g/mol
Exact Mass608.05
IUPAC Name2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
SMILESO=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CC(CCN1CCCC1=O)O2)c1c(Cl)cccc1Cl
InChIInChI=1S/C26H23Cl3N4O5S/c27-16-4-1-5-19(12-16)39(36,37)33-15-18(9-11-32-10-3-8-23(32)34)38-26-22(33)13-17(14-30-26)31-25(35)24-20(28)6-2-7-21(24)29/h1-2,4-7,12-14,18H,3,8-11,15H2,(H,31,35)
InChIKeyDKWRFWPZLLRTBQ-UHFFFAOYSA-N
XLogP5.26
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.92
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide with MolForge

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Related Compounds

2,6-dichloro-N-[(3S)-1-(3-chlorophenyl)sulfonyl-3-[(dimethylcarbamoylamino)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 118033503
N-[3-acetamido-1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-pyrido[2,3-b][1,4]oxazepin-8-yl]-2,6-dichlorobenzamide
CID 123864914
2-chloro-6-fluoro-N-[3-methyl-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 118023325
N-[7-(2-aminopropanoylamino)-5-(3-chlorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123268028
N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123502628
2-chloro-N-[(2R)-4-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-6-(trifluoromethyl)benzamide
CID 69282396
tert-butyl N-[[(3S)-1-(3-methylphenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]carbamate
CID 118033514
2-chloro-N-[4-(3,4-difluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-6-fluorobenzamide
CID 77406842
2,6-dichloro-N-[4-(4-chlorophenyl)sulfonyl-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
CID 69282410
2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-[(dimethylamino)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 118070862
2,6-dichloro-N-[8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
CID 123861532
2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
CID 118055859

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide (CID 123259288) is 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide is O=C(Nc1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CC(CCN1CCCC1=O)O2)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide?
The InChIKey is DKWRFWPZLLRTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N4O5S/c27-16-4-1-5-19(12-16)39(36,37)33-15-18(9-11-32-10-3-8-23(32)34)38-26-22(33)13-17(14-30-26)31-25(35)24-20(28)6-2-7-21(24)29/h1-2,4-7,12-14,18H,3,8-11,15H2,(H,31,35).
What are the key properties of 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide?
2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide has a molecular weight of 609.92 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide is sourced from PubChem (CID 123259288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).