2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C17H16Cl2N2O4S — CID 1108158

IUPAC2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O4S/c18-12-1-6-15(16(19)11-12)17(22)20-13-2-4-14(5-3-13)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyGHSMEGJBAJLXFE-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.27
Rot. Bonds4

About 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 1108158) has the molecular formula C17H16Cl2N2O4S and a molecular weight of 415.30 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID1108158
Molecular FormulaC17H16Cl2N2O4S
Molecular Weight415.30 g/mol
Exact Mass414.02
IUPAC Name2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O4S/c18-12-1-6-15(16(19)11-12)17(22)20-13-2-4-14(5-3-13)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyGHSMEGJBAJLXFE-UHFFFAOYSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126508531
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
2,4-dichloro-N-(3-fluorophenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356130
2,4-dichloro-N-(3,4-difluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2334818
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
2,4-dichloro-N-[4-(dimethylamino)phenyl]sulfonylbenzamide
CID 11211004

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 1108158) is 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is GHSMEGJBAJLXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S/c18-12-1-6-15(16(19)11-12)17(22)20-13-2-4-14(5-3-13)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 415.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1108158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).