N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide

C11H16N2O5S — CID 82715134

IUPACN-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide
SMILESCC(C)CONS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O5S/c1-9(2)7-18-12-19(16,17)8-10-5-3-4-6-11(10)13(14)15/h3-6,9,12H,7-8H2,1-2H3
InChIKeyFQHJGMFUSACBHO-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.60
Rot. Bonds7

About N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide

N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 82715134) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID82715134
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC NameN-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide
SMILESCC(C)CONS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O5S/c1-9(2)7-18-12-19(16,17)8-10-5-3-4-6-11(10)13(14)15/h3-6,9,12H,7-8H2,1-2H3
InChIKeyFQHJGMFUSACBHO-UHFFFAOYSA-N
XLogP1.60
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.60
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-(2,2-dimethoxyethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62967512
N-but-3-en-2-yl-1-(2-nitrophenyl)methanesulfonamide
CID 75506109
N-[2-(ethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 62664934
1-(2-nitrophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 104624356
N-(1,3-dihydroxypropan-2-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 65314292
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
2-methyl-2-[(2-nitrophenyl)methylsulfonylamino]propanoic acid
CID 62022787
N-(2-amino-2-ethylbutyl)-1-(2-nitrophenyl)methanesulfonamide
CID 115305942
2-[(2-nitrophenyl)methylsulfonylamino]acetamide
CID 64591767
4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide
CID 91153349
4-methyl-N-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 82715574

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide (CID 82715134) is N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide is CC(C)CONS(=O)(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is FQHJGMFUSACBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-9(2)7-18-12-19(16,17)8-10-5-3-4-6-11(10)13(14)15/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide?
N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 288.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 82715134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).