2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide

C18H20N2O4S — CID 2981527

IUPAC2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c21-18(19-13-14-7-6-12-24-14)16-10-4-5-11-17(16)20-25(22,23)15-8-2-1-3-9-15/h1-5,8-11,14,20H,6-7,12-13H2,(H,19,21)
InChIKeyUHQYJGQTIVPCBJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.40
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide

2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2981527) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2981527
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c21-18(19-13-14-7-6-12-24-14)16-10-4-5-11-17(16)20-25(22,23)15-8-2-1-3-9-15/h1-5,8-11,14,20H,6-7,12-13H2,(H,19,21)
InChIKeyUHQYJGQTIVPCBJ-UHFFFAOYSA-N
XLogP2.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 99949677
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
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
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
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-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide (CID 2981527) is 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UHQYJGQTIVPCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(19-13-14-7-6-12-24-14)16-10-4-5-11-17(16)20-25(22,23)15-8-2-1-3-9-15/h1-5,8-11,14,20H,6-7,12-13H2,(H,19,21).
What are the key properties of 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide?
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2981527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).