2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide

C14H15Cl2F3N2O4S — CID 55675286

IUPAC2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2F3N2O4S/c1-20(8-14(17,18)19)13(22)9-6-12(11(16)7-10(9)15)26(23,24)21-2-4-25-5-3-21/h6-7H,2-5,8H2,1H3
InChIKeyMVWVZTHFYHYMCR-UHFFFAOYSA-N
MW435.25 g/mol
LogP2.65
Rot. Bonds4

About 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide

2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55675286) has the molecular formula C14H15Cl2F3N2O4S and a molecular weight of 435.25 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55675286
Molecular FormulaC14H15Cl2F3N2O4S
Molecular Weight435.25 g/mol
Exact Mass434.01
IUPAC Name2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2F3N2O4S/c1-20(8-14(17,18)19)13(22)9-6-12(11(16)7-10(9)15)26(23,24)21-2-4-25-5-3-21/h6-7H,2-5,8H2,1H3
InChIKeyMVWVZTHFYHYMCR-UHFFFAOYSA-N
XLogP2.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55468764
2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2336712
2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 24542518
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518137
2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65372490
(2-morpholin-4-yl-2-oxoethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2432075
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide (CID 55675286) is 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide is CN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MVWVZTHFYHYMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F3N2O4S/c1-20(8-14(17,18)19)13(22)9-6-12(11(16)7-10(9)15)26(23,24)21-2-4-25-5-3-21/h6-7H,2-5,8H2,1H3.
What are the key properties of 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 435.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55675286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).