N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide

C12H16N2O6S — CID 47052146

IUPACN-(4-methoxy-2-nitrophenyl)sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O6S/c1-3-4-5-12(15)13-21(18,19)11-7-6-9(20-2)8-10(11)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyWWCKVFUAECVDJF-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.60
Rot. Bonds7

About N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide

N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide (PubChem CID 47052146) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)sulfonylpentanamide
PubChem CID47052146
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC NameN-(4-methoxy-2-nitrophenyl)sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O6S/c1-3-4-5-12(15)13-21(18,19)11-7-6-9(20-2)8-10(11)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyWWCKVFUAECVDJF-UHFFFAOYSA-N
XLogP1.60
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.60
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

butyl 4-[(4-methoxy-2-nitrophenyl)sulfonylamino]benzoate
CID 24621712
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid
CID 60713550
4-methoxy-2-nitro-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994519
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119992978
N-(2-hydroxypentyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 115754543
N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43501926
N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43502283
N-(1-aminopentan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 65193073
N-(2-aminoethyl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119960005
N-(4-nitrophenyl)sulfonylpentanamide
CID 162405454
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2-nitrobenzenesulfonamide
CID 79245918

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide (CID 47052146) is N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide is CCCCC(=O)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide?
The InChIKey is WWCKVFUAECVDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-3-4-5-12(15)13-21(18,19)11-7-6-9(20-2)8-10(11)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide?
N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide has a molecular weight of 316.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide is sourced from PubChem (CID 47052146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).