2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C18H18F2N2O4S — CID 8843734

IUPAC2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O4S/c19-14-7-3-8-15(20)17(14)27(24,25)22-16-9-2-1-6-13(16)18(23)21-11-12-5-4-10-26-12/h1-3,6-9,12,22H,4-5,10-11H2,(H,21,23)/t12-/m0/s1
InChIKeyRRPDNQPLPGPGPT-LBPRGKRZSA-N
MW396.42 g/mol
LogP2.67
Rot. Bonds6

About 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 8843734) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID8843734
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O4S/c19-14-7-3-8-15(20)17(14)27(24,25)22-16-9-2-1-6-13(16)18(23)21-11-12-5-4-10-26-12/h1-3,6-9,12,22H,4-5,10-11H2,(H,21,23)/t12-/m0/s1
InChIKeyRRPDNQPLPGPGPT-LBPRGKRZSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
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
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
CID 8843726
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2496418
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 99949677
2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55902296
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843752
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843753

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 8843734) is 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is RRPDNQPLPGPGPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c19-14-7-3-8-15(20)17(14)27(24,25)22-16-9-2-1-6-13(16)18(23)21-11-12-5-4-10-26-12/h1-3,6-9,12,22H,4-5,10-11H2,(H,21,23)/t12-/m0/s1.
What are the key properties of 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 8843734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).