2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide

C20H20Cl3N3O4S — CID 5295479

IUPAC2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C20H20Cl3N3O4S/c21-15-11-17(23)19(31(28,29)25-12-1-2-12)10-14(15)20(27)24-13-3-4-18(16(22)9-13)26-5-7-30-8-6-26/h3-4,9-12,25H,1-2,5-8H2,(H,24,27)
InChIKeyYWTMMTCNGJQTKW-UHFFFAOYSA-N
MW504.82 g/mol
LogP4.18
Rot. Bonds6

About 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide

2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide (PubChem CID 5295479) has the molecular formula C20H20Cl3N3O4S and a molecular weight of 504.82 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
PubChem CID5295479
Molecular FormulaC20H20Cl3N3O4S
Molecular Weight504.82 g/mol
Exact Mass503.02
IUPAC Name2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C20H20Cl3N3O4S/c21-15-11-17(23)19(31(28,29)25-12-1-2-12)10-14(15)20(27)24-13-3-4-18(16(22)9-13)26-5-7-30-8-6-26/h3-4,9-12,25H,1-2,5-8H2,(H,24,27)
InChIKeyYWTMMTCNGJQTKW-UHFFFAOYSA-N
XLogP4.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.82
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 30866994
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24610777
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985999
2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716887

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide (CID 5295479) is 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide?
The InChIKey is YWTMMTCNGJQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3N3O4S/c21-15-11-17(23)19(31(28,29)25-12-1-2-12)10-14(15)20(27)24-13-3-4-18(16(22)9-13)26-5-7-30-8-6-26/h3-4,9-12,25H,1-2,5-8H2,(H,24,27).
What are the key properties of 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide?
2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide has a molecular weight of 504.82 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 5295479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).