4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

C16H16F3N3O4S — CID 34298858

IUPAC4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C16H16F3N3O4S/c17-16(18,19)11-1-3-12(4-2-11)21-15(23)14-9-13(10-20-14)27(24,25)22-5-7-26-8-6-22/h1-4,9-10,20H,5-8H2,(H,21,23)
InChIKeyTZOCTKDJUFZNEW-UHFFFAOYSA-N
MW403.38 g/mol
LogP2.31
Rot. Bonds4

About 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 34298858) has the molecular formula C16H16F3N3O4S and a molecular weight of 403.38 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID34298858
Molecular FormulaC16H16F3N3O4S
Molecular Weight403.38 g/mol
Exact Mass403.08
IUPAC Name4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C16H16F3N3O4S/c17-16(18,19)11-1-3-12(4-2-11)21-15(23)14-9-13(10-20-14)27(24,25)22-5-7-26-8-6-22/h1-4,9-10,20H,5-8H2,(H,21,23)
InChIKeyTZOCTKDJUFZNEW-UHFFFAOYSA-N
XLogP2.31
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide
CID 55514549
N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46423561
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55413160
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
N-[2-(difluoromethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 36671680
4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 24637915
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55855284
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 34298858) is 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is TZOCTKDJUFZNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4S/c17-16(18,19)11-1-3-12(4-2-11)21-15(23)14-9-13(10-20-14)27(24,25)22-5-7-26-8-6-22/h1-4,9-10,20H,5-8H2,(H,21,23).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 403.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 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]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 34298858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).