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

C19H20Cl2N2O6S — CID 26210560

IUPAC2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O6S/c1-27-17-11-18(28-2)16(10-15(17)21)22-19(24)13-9-12(3-4-14(13)20)30(25,26)23-5-7-29-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24)
InChIKeyLOBDRZHHIOLSOQ-UHFFFAOYSA-N
MW475.35 g/mol
LogP3.28
Rot. Bonds6

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

2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 26210560) has the molecular formula C19H20Cl2N2O6S and a molecular weight of 475.35 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID26210560
Molecular FormulaC19H20Cl2N2O6S
Molecular Weight475.35 g/mol
Exact Mass474.04
IUPAC Name2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O6S/c1-27-17-11-18(28-2)16(10-15(17)21)22-19(24)13-9-12(3-4-14(13)20)30(25,26)23-5-7-29-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,22,24)
InChIKeyLOBDRZHHIOLSOQ-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

2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26198212
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 16761905
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561045
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46575932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 26210560) is 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide is COc1cc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LOBDRZHHIOLSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O6S/c1-27-17-11-18(28-2)16(10-15(17)21)22-19(24)13-9-12(3-4-14(13)20)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 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-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 2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26210560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).