3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C18H20N2O4S — CID 25331189

IUPAC3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c21-18(19-13-16-8-5-11-24-16)14-6-4-7-15(12-14)20-25(22,23)17-9-2-1-3-10-17/h1-4,6-7,9-10,12,16,20H,5,8,11,13H2,(H,19,21)/t16-/m0/s1
InChIKeyHMNSTPYVKZLYKU-INIZCTEOSA-N
MW360.44 g/mol
LogP2.40
Rot. Bonds6

About 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 25331189) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID25331189
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c21-18(19-13-16-8-5-11-24-16)14-6-4-7-15(12-14)20-25(22,23)17-9-2-1-3-10-17/h1-4,6-7,9-10,12,16,20H,5,8,11,13H2,(H,19,21)/t16-/m0/s1
InChIKeyHMNSTPYVKZLYKU-INIZCTEOSA-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-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
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
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-(benzoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427579

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 25331189) is 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is HMNSTPYVKZLYKU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(19-13-16-8-5-11-24-16)14-6-4-7-15(12-14)20-25(22,23)17-9-2-1-3-10-17/h1-4,6-7,9-10,12,16,20H,5,8,11,13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]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 3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 25331189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).