2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide

C18H22ClF3N2O4S — CID 43046761

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C18H22ClF3N2O4S/c19-15-6-5-12(29(26,27)24-7-9-28-10-8-24)11-13(15)17(25)23-16-4-2-1-3-14(16)18(20,21)22/h5-6,11,14,16H,1-4,7-10H2,(H,23,25)
InChIKeyBUOAFBAQPNBTDB-UHFFFAOYSA-N
MW454.90 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 43046761) has the molecular formula C18H22ClF3N2O4S and a molecular weight of 454.90 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID43046761
Molecular FormulaC18H22ClF3N2O4S
Molecular Weight454.90 g/mol
Exact Mass454.09
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C18H22ClF3N2O4S/c19-15-6-5-12(29(26,27)24-7-9-28-10-8-24)11-13(15)17(25)23-16-4-2-1-3-14(16)18(20,21)22/h5-6,11,14,16H,1-4,7-10H2,(H,23,25)
InChIKeyBUOAFBAQPNBTDB-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 39951393
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 2343813
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 25162143
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
2-bromo-N-(2-tert-butylcyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55593718
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide (CID 43046761) is 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is BUOAFBAQPNBTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N2O4S/c19-15-6-5-12(29(26,27)24-7-9-28-10-8-24)11-13(15)17(25)23-16-4-2-1-3-14(16)18(20,21)22/h5-6,11,14,16H,1-4,7-10H2,(H,23,25).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 454.90 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 43046761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).