4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

C19H20Cl2N2O6S — CID 26210559

IUPAC4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O6S/c1-27-16-11-17(28-2)15(10-14(16)21)22-19(24)12-3-4-13(20)18(9-12)30(25,26)23-5-7-29-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24)
InChIKeySZDNMAKCOZMURM-UHFFFAOYSA-N
MW475.35 g/mol
LogP3.28
Rot. Bonds6

About 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26210559) has the molecular formula C19H20Cl2N2O6S and a molecular weight of 475.35 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26210559
Molecular FormulaC19H20Cl2N2O6S
Molecular Weight475.35 g/mol
Exact Mass474.04
IUPAC Name4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O6S/c1-27-16-11-17(28-2)15(10-14(16)21)22-19(24)12-3-4-13(20)18(9-12)30(25,26)23-5-7-29-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24)
InChIKeySZDNMAKCOZMURM-UHFFFAOYSA-N
XLogP3.28
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 16551113
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7478552
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 46458104
4-chloro-N-(2-methoxy-5-nitrophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2099812

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 26210559) is 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is COc1cc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl.
What is the InChIKey of 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SZDNMAKCOZMURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O6S/c1-27-16-11-17(28-2)15(10-14(16)21)22-19(24)12-3-4-13(20)18(9-12)30(25,26)23-5-7-29-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 475.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26210559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).