2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C18H18N2O6S — CID 1310311

IUPAC2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O6S/c21-18(19-12-14-4-3-11-26-14)16-5-1-2-6-17(16)27(24,25)15-9-7-13(8-10-15)20(22)23/h1-2,5-10,14H,3-4,11-12H2,(H,19,21)/t14-/m0/s1
InChIKeyQCNKRCIQWCCOFZ-AWEZNQCLSA-N
MW390.42 g/mol
LogP2.34
Rot. Bonds6

About 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 1310311) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID1310311
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O6S/c21-18(19-12-14-4-3-11-26-14)16-5-1-2-6-17(16)27(24,25)15-9-7-13(8-10-15)20(22)23/h1-2,5-10,14H,3-4,11-12H2,(H,19,21)/t14-/m0/s1
InChIKeyQCNKRCIQWCCOFZ-AWEZNQCLSA-N
XLogP2.34
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1310310
2-[3-[(4-nitrophenyl)sulfonylamino]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17193049
N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
CID 27260765
2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40976161
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7389968
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
2-[(2-nitrobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42426628
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 714835
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 1310311) is 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is QCNKRCIQWCCOFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2O6S/c21-18(19-12-14-4-3-11-26-14)16-5-1-2-6-17(16)27(24,25)15-9-7-13(8-10-15)20(22)23/h1-2,5-10,14H,3-4,11-12H2,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 390.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1310311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).