N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide

C18H17F3N2O4S — CID 8843726

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O4S/c19-13-7-8-15(17(21)16(13)20)28(25,26)23-14-6-2-1-5-12(14)18(24)22-10-11-4-3-9-27-11/h1-2,5-8,11,23H,3-4,9-10H2,(H,22,24)/t11-/m0/s1
InChIKeyQCJMRAGVLMICOG-NSHDSACASA-N
MW414.41 g/mol
LogP2.81
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide

N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide (PubChem CID 8843726) has the molecular formula C18H17F3N2O4S and a molecular weight of 414.41 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
PubChem CID8843726
Molecular FormulaC18H17F3N2O4S
Molecular Weight414.41 g/mol
Exact Mass414.09
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O4S/c19-13-7-8-15(17(21)16(13)20)28(25,26)23-14-6-2-1-5-12(14)18(24)22-10-11-4-3-9-27-11/h1-2,5-8,11,23H,3-4,9-10H2,(H,22,24)/t11-/m0/s1
InChIKeyQCJMRAGVLMICOG-NSHDSACASA-N
XLogP2.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442
2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133202124
dimethyl 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 26268965
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491121
2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55902296
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide (CID 8843726) is N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide is O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide?
The InChIKey is QCJMRAGVLMICOG-NSHDSACASA-N. The full InChI is InChI=1S/C18H17F3N2O4S/c19-13-7-8-15(17(21)16(13)20)28(25,26)23-14-6-2-1-5-12(14)18(24)22-10-11-4-3-9-27-11/h1-2,5-8,11,23H,3-4,9-10H2,(H,22,24)/t11-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide has a molecular weight of 414.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 8843726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).