4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide

C18H17F3N2O4S — CID 17391128

IUPAC4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H17F3N2O4S/c19-18(20,21)14-3-5-15(6-4-14)22-17(24)13-1-7-16(8-2-13)28(25,26)23-9-11-27-12-10-23/h1-8H,9-12H2,(H,22,24)
InChIKeyHALQQYHZAGVAKR-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.98
Rot. Bonds4

About 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide

4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 17391128) has the molecular formula C18H17F3N2O4S and a molecular weight of 414.41 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID17391128
Molecular FormulaC18H17F3N2O4S
Molecular Weight414.41 g/mol
Exact Mass414.09
IUPAC Name4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H17F3N2O4S/c19-18(20,21)14-3-5-15(6-4-14)22-17(24)13-1-7-16(8-2-13)28(25,26)23-9-11-27-12-10-23/h1-8H,9-12H2,(H,22,24)
InChIKeyHALQQYHZAGVAKR-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 24637915
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34298858
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 163347502
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 17391128) is 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HALQQYHZAGVAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4S/c19-18(20,21)14-3-5-15(6-4-14)22-17(24)13-1-7-16(8-2-13)28(25,26)23-9-11-27-12-10-23/h1-8H,9-12H2,(H,22,24).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 414.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 17391128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).