N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide

C12H14F2N2O3S2 — CID 82906170

IUPACN-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CSCCN1
InChIInChI=1S/C12H14F2N2O3S2/c13-12(14)21(18,19)9-3-1-8(2-4-9)16-11(17)10-7-20-6-5-15-10/h1-4,10,12,15H,5-7H2,(H,16,17)
InChIKeyQDBFEYFVIHNUDG-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.33
Rot. Bonds4

About N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide

N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide (PubChem CID 82906170) has the molecular formula C12H14F2N2O3S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
PubChem CID82906170
Molecular FormulaC12H14F2N2O3S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CSCCN1
InChIInChI=1S/C12H14F2N2O3S2/c13-12(14)21(18,19)9-3-1-8(2-4-9)16-11(17)10-7-20-6-5-15-10/h1-4,10,12,15H,5-7H2,(H,16,17)
InChIKeyQDBFEYFVIHNUDG-UHFFFAOYSA-N
XLogP1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
CID 104900564
N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 172895059
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775
N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982469
methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
CID 82906882
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 31972791
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide (CID 82906170) is N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CSCCN1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide?
The InChIKey is QDBFEYFVIHNUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3S2/c13-12(14)21(18,19)9-3-1-8(2-4-9)16-11(17)10-7-20-6-5-15-10/h1-4,10,12,15H,5-7H2,(H,16,17).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).