2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

C17H15ClF2N2O4S — CID 4803040

IUPAC2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H15ClF2N2O4S/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-2-1-3-12(8-11)27(24,25)22-4-6-26-7-5-22/h1-3,8-10H,4-7H2,(H,21,23)
InChIKeyNYDDQZDRUSQBLK-UHFFFAOYSA-N
MW416.83 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4803040) has the molecular formula C17H15ClF2N2O4S and a molecular weight of 416.83 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4803040
Molecular FormulaC17H15ClF2N2O4S
Molecular Weight416.83 g/mol
Exact Mass416.04
IUPAC Name2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H15ClF2N2O4S/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-2-1-3-12(8-11)27(24,25)22-4-6-26-7-5-22/h1-3,8-10H,4-7H2,(H,21,23)
InChIKeyNYDDQZDRUSQBLK-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide
CID 17452404
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (CID 4803040) is 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is NYDDQZDRUSQBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4S/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-2-1-3-12(8-11)27(24,25)22-4-6-26-7-5-22/h1-3,8-10H,4-7H2,(H,21,23).
What are the key properties of 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 416.83 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4803040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).