2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C21H23Cl2N3O6S2 — CID 3344196

IUPAC2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O6S2/c22-18-14-19(23)20(34(30,31)26-9-11-32-12-10-26)13-17(18)21(27)24-15-3-5-16(6-4-15)33(28,29)25-7-1-2-8-25/h3-6,13-14H,1-2,7-12H2,(H,24,27)
InChIKeyMEIMNXQCSKYCLC-UHFFFAOYSA-N
MW548.47 g/mol
LogP3.05
Rot. Bonds6

About 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 3344196) has the molecular formula C21H23Cl2N3O6S2 and a molecular weight of 548.47 g/mol. Its IUPAC name is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID3344196
Molecular FormulaC21H23Cl2N3O6S2
Molecular Weight548.47 g/mol
Exact Mass547.04
IUPAC Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O6S2/c22-18-14-19(23)20(34(30,31)26-9-11-32-12-10-26)13-17(18)21(27)24-15-3-5-16(6-4-15)33(28,29)25-7-1-2-8-25/h3-6,13-14H,1-2,7-12H2,(H,24,27)
InChIKeyMEIMNXQCSKYCLC-UHFFFAOYSA-N
XLogP3.05
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26358776
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 3344196) is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is MEIMNXQCSKYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O6S2/c22-18-14-19(23)20(34(30,31)26-9-11-32-12-10-26)13-17(18)21(27)24-15-3-5-16(6-4-15)33(28,29)25-7-1-2-8-25/h3-6,13-14H,1-2,7-12H2,(H,24,27).
What are the key properties of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 548.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3344196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).