N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide

C18H20N2O4S — CID 19257393

IUPACN-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c21-18(19-13-16-9-5-11-24-16)14-6-4-10-17(12-14)25(22,23)20-15-7-2-1-3-8-15/h1-4,6-8,10,12,16,20H,5,9,11,13H2,(H,19,21)
InChIKeyHBDGNUHUMZVXRH-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.40
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide

N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide (PubChem CID 19257393) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
PubChem CID19257393
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c21-18(19-13-16-9-5-11-24-16)14-6-4-10-17(12-14)25(22,23)20-15-7-2-1-3-8-15/h1-4,6-8,10,12,16,20H,5,9,11,13H2,(H,19,21)
InChIKeyHBDGNUHUMZVXRH-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

3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide (CID 19257393) is N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide is O=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is HBDGNUHUMZVXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(19-13-16-9-5-11-24-16)14-6-4-10-17(12-14)25(22,23)20-15-7-2-1-3-8-15/h1-4,6-8,10,12,16,20H,5,9,11,13H2,(H,19,21).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide?
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)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 N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 19257393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).