N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide

C13H17N3O5S — CID 14226695

IUPACN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O5S/c1-10(17)14-12-6-5-11(9-13(12)16(18)19)22(20,21)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyVKTSEEQELWJKCY-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.73
Rot. Bonds4

About N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide

N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 14226695) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID14226695
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O5S/c1-10(17)14-12-6-5-11(9-13(12)16(18)19)22(20,21)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyVKTSEEQELWJKCY-UHFFFAOYSA-N
XLogP1.73
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
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

(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
CID 9311427
N-(2-methylpropyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 9281950
4-methyl-2-(2-nitro-4-piperidin-1-ylsulfonylanilino)pentanoic acid
CID 122062681
N-(4-methoxy-2-nitrophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3953912
4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
CID 9282828
4-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-2-nitroaniline
CID 16959579
4-(azepan-1-ylsulfonyl)-N-(1-methylsulfanylpropan-2-yl)-2-nitroaniline
CID 133311861
3-methyl-N-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)phenyl]butanamide
CID 24661955
N-[(1S)-1-cyclopropylethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 9026150
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 26441981

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide (CID 14226695) is N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is VKTSEEQELWJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-10(17)14-12-6-5-11(9-13(12)16(18)19)22(20,21)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,17).
What are the key properties of N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide?
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 14226695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).