N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide

C25H20ClN3O6S — CID 4262574

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C25H20ClN3O6S/c26-21-9-8-17(15-22(21)36(33,34)28-10-12-35-13-11-28)27-23(30)16-4-3-5-18(14-16)29-24(31)19-6-1-2-7-20(19)25(29)32/h1-9,14-15H,10-13H2,(H,27,30)
InChIKeyKQSLGZQZTVFXQK-UHFFFAOYSA-N
MW525.97 g/mol
LogP3.41
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 4262574) has the molecular formula C25H20ClN3O6S and a molecular weight of 525.97 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID4262574
Molecular FormulaC25H20ClN3O6S
Molecular Weight525.97 g/mol
Exact Mass525.08
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C25H20ClN3O6S/c26-21-9-8-17(15-22(21)36(33,34)28-10-12-35-13-11-28)27-23(30)16-4-3-5-18(14-16)29-24(31)19-6-1-2-7-20(19)25(29)32/h1-9,14-15H,10-13H2,(H,27,30)
InChIKeyKQSLGZQZTVFXQK-UHFFFAOYSA-N
XLogP3.41
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.97
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 27007356
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide
CID 166384365
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
CID 1121791
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide (CID 4262574) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is KQSLGZQZTVFXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O6S/c26-21-9-8-17(15-22(21)36(33,34)28-10-12-35-13-11-28)27-23(30)16-4-3-5-18(14-16)29-24(31)19-6-1-2-7-20(19)25(29)32/h1-9,14-15H,10-13H2,(H,27,30).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 525.97 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 4262574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).