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

C17H15Cl3N2O4S — CID 26591526

IUPAC2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C17H15Cl3N2O4S/c18-11-7-12(19)9-13(8-11)21-17(23)15-10-14(1-2-16(15)20)27(24,25)22-3-5-26-6-4-22/h1-2,7-10H,3-6H2,(H,21,23)
InChIKeyGQIATWUGUCNOKW-UHFFFAOYSA-N
MW449.74 g/mol
LogP3.92
Rot. Bonds4

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

2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 26591526) has the molecular formula C17H15Cl3N2O4S and a molecular weight of 449.74 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID26591526
Molecular FormulaC17H15Cl3N2O4S
Molecular Weight449.74 g/mol
Exact Mass447.98
IUPAC Name2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C17H15Cl3N2O4S/c18-11-7-12(19)9-13(8-11)21-17(23)15-10-14(1-2-16(15)20)27(24,25)22-3-5-26-6-4-22/h1-2,7-10H,3-6H2,(H,21,23)
InChIKeyGQIATWUGUCNOKW-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.74
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
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
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4641528
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28590683
2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 56700334
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 26591526) is 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GQIATWUGUCNOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O4S/c18-11-7-12(19)9-13(8-11)21-17(23)15-10-14(1-2-16(15)20)27(24,25)22-3-5-26-6-4-22/h1-2,7-10H,3-6H2,(H,21,23).
What are the key properties of 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 449.74 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26591526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).