(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide

C14H14N4O6S — CID 41036683

IUPAC(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14N4O6S/c1-9(24-12-6-3-7-16-13(12)18(20)21)14(19)17-10-4-2-5-11(8-10)25(15,22)23/h2-9H,1H3,(H,17,19)(H2,15,22,23)/t9-/m0/s1
InChIKeyHHHXWBZWGUWOIF-VIFPVBQESA-N
MW366.36 g/mol
LogP1.04
Rot. Bonds6

About (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide

(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 41036683) has the molecular formula C14H14N4O6S and a molecular weight of 366.36 g/mol. Its IUPAC name is (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
PubChem CID41036683
Molecular FormulaC14H14N4O6S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14N4O6S/c1-9(24-12-6-3-7-16-13(12)18(20)21)14(19)17-10-4-2-5-11(8-10)25(15,22)23/h2-9H,1H3,(H,17,19)(H2,15,22,23)/t9-/m0/s1
InChIKeyHHHXWBZWGUWOIF-VIFPVBQESA-N
XLogP1.04
TPSA154.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16959128
N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8644554
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
(2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide
CID 25467195
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
CID 8978446
(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 8643321
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 55422777
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide (CID 41036683) is (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide is C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is HHHXWBZWGUWOIF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4O6S/c1-9(24-12-6-3-7-16-13(12)18(20)21)14(19)17-10-4-2-5-11(8-10)25(15,22)23/h2-9H,1H3,(H,17,19)(H2,15,22,23)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide?
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 366.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 41036683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).