(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide

C15H15N3O5S — CID 95321208

IUPAC(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O5S/c1-11(15(19)16-12-7-3-2-4-8-12)17-24(22,23)14-10-6-5-9-13(14)18(20)21/h2-11,17H,1H3,(H,16,19)/t11-/m1/s1
InChIKeyJKBUIWYGLQFGQV-LLVKDONJSA-N
MW349.37 g/mol
LogP1.90
Rot. Bonds6

About (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide

(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide (PubChem CID 95321208) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide
PubChem CID95321208
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O5S/c1-11(15(19)16-12-7-3-2-4-8-12)17-24(22,23)14-10-6-5-9-13(14)18(20)21/h2-11,17H,1H3,(H,16,19)/t11-/m1/s1
InChIKeyJKBUIWYGLQFGQV-LLVKDONJSA-N
XLogP1.90
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2R)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767454
2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 4668880
(2S)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767456
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
3-methyl-N-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfonylamino]butanamide
CID 25046640
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S)-4-methyl-2-[(2-nitrophenyl)sulfonylamino]pentanoic acid
CID 702569
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2R)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide
CID 8512444
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide (CID 95321208) is (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide is C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide?
The InChIKey is JKBUIWYGLQFGQV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-11(15(19)16-12-7-3-2-4-8-12)17-24(22,23)14-10-6-5-9-13(14)18(20)21/h2-11,17H,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide?
(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide has a molecular weight of 349.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide is sourced from PubChem (CID 95321208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).