N-(4-nitrophenyl)sulfonylpentanamide

C11H14N2O5S — CID 162405454

IUPACN-(4-nitrophenyl)sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O5S/c1-2-3-4-11(14)12-19(17,18)10-7-5-9(6-8-10)13(15)16/h5-8H,2-4H2,1H3,(H,12,14)
InChIKeyXKHFVXDNQKDDGI-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.59
Rot. Bonds6

About N-(4-nitrophenyl)sulfonylpentanamide

N-(4-nitrophenyl)sulfonylpentanamide (PubChem CID 162405454) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(4-nitrophenyl)sulfonylpentanamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)sulfonylpentanamide
PubChem CID162405454
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC NameN-(4-nitrophenyl)sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O5S/c1-2-3-4-11(14)12-19(17,18)10-7-5-9(6-8-10)13(15)16/h5-8H,2-4H2,1H3,(H,12,14)
InChIKeyXKHFVXDNQKDDGI-UHFFFAOYSA-N
XLogP1.59
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.59
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

N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 4102747
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide
CID 156816970
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-(4-nitrophenyl)tridecanamide
CID 86103066
N'-(benzenesulfonyl)-N-(4-nitrophenyl)propanediamide
CID 135052001
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide
CID 47052146
butan-2-yl N-(4-nitrophenyl)sulfonylcarbamate
CID 20976288

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)sulfonylpentanamide?
The IUPAC name of N-(4-nitrophenyl)sulfonylpentanamide (CID 162405454) is N-(4-nitrophenyl)sulfonylpentanamide.
What is the SMILES notation for N-(4-nitrophenyl)sulfonylpentanamide?
The canonical SMILES for N-(4-nitrophenyl)sulfonylpentanamide is CCCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)sulfonylpentanamide?
The InChIKey is XKHFVXDNQKDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-2-3-4-11(14)12-19(17,18)10-7-5-9(6-8-10)13(15)16/h5-8H,2-4H2,1H3,(H,12,14).
What are the key properties of N-(4-nitrophenyl)sulfonylpentanamide?
N-(4-nitrophenyl)sulfonylpentanamide has a molecular weight of 286.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)sulfonylpentanamide is sourced from PubChem (CID 162405454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).