(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

C17H20ClF3N2O4S — CID 39951393

IUPAC(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C17H20ClF3N2O4S/c18-15-4-3-13(28(25,26)23-6-8-27-9-7-23)10-14(15)16(24)22-5-1-2-12(11-22)17(19,20)21/h3-4,10,12H,1-2,5-9,11H2/t12-/m0/s1
InChIKeyCJHWLTSEXMFDQN-LBPRGKRZSA-N
MW440.87 g/mol
LogP2.78
Rot. Bonds3

About (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 39951393) has the molecular formula C17H20ClF3N2O4S and a molecular weight of 440.87 g/mol. Its IUPAC name is (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID39951393
Molecular FormulaC17H20ClF3N2O4S
Molecular Weight440.87 g/mol
Exact Mass440.08
IUPAC Name(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C17H20ClF3N2O4S/c18-15-4-3-13(28(25,26)23-6-8-27-9-7-23)10-14(15)16(24)22-5-1-2-12(11-22)17(19,20)21/h3-4,10,12H,1-2,5-9,11H2/t12-/m0/s1
InChIKeyCJHWLTSEXMFDQN-LBPRGKRZSA-N
XLogP2.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.87
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640784
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 27445751
(2-chloro-5-methylsulfanylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51922925
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 41440360
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046761
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
(5-chloro-2-hydroxyphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640799
ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate
CID 43853493
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 1231349
(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 41440130
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 39951393) is (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is CJHWLTSEXMFDQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClF3N2O4S/c18-15-4-3-13(28(25,26)23-6-8-27-9-7-23)10-14(15)16(24)22-5-1-2-12(11-22)17(19,20)21/h3-4,10,12H,1-2,5-9,11H2/t12-/m0/s1.
What are the key properties of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 440.87 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 39951393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).