2-(2-methylpropoxy)-5-nitrobenzenesulfonamide

C10H14N2O5S — CID 43164364

IUPAC2-(2-methylpropoxy)-5-nitrobenzenesulfonamide
SMILESCC(C)COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O5S/c1-7(2)6-17-9-4-3-8(12(13)14)5-10(9)18(11,15)16/h3-5,7H,6H2,1-2H3,(H2,11,15,16)
InChIKeyLDMRQDKXMRNONV-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.28
Rot. Bonds5

About 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide

2-(2-methylpropoxy)-5-nitrobenzenesulfonamide (PubChem CID 43164364) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-5-nitrobenzenesulfonamide
PubChem CID43164364
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name2-(2-methylpropoxy)-5-nitrobenzenesulfonamide
SMILESCC(C)COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O5S/c1-7(2)6-17-9-4-3-8(12(13)14)5-10(9)18(11,15)16/h3-5,7H,6H2,1-2H3,(H2,11,15,16)
InChIKeyLDMRQDKXMRNONV-UHFFFAOYSA-N
XLogP1.28
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.28
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-(3-methylbutoxy)-5-nitrobenzenesulfonamide
CID 43342318
2-(4-methylpentoxy)-5-nitrobenzenesulfonamide
CID 83157782
2-(2-methylsulfonylethoxy)-5-nitrobenzenesulfonamide
CID 61058675
5-nitro-2-prop-2-ynoxybenzenesulfonamide
CID 82921555
2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide
CID 16756875
N-(cyanomethyl)-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913043
2-(4-methylpentoxy)-5-nitrobenzenesulfonyl chloride
CID 83156711
2-[methyl(2-methylpropyl)amino]-5-nitrobenzenesulfonamide
CID 47464103
N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913033
2-[(2-bromo-5-nitrophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 103013091
5-nitro-2-(oxan-2-ylmethoxy)benzenesulfonamide
CID 43592059
2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
CID 16757272

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide (CID 43164364) is 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide is CC(C)COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O.
What is the InChIKey of 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide?
The InChIKey is LDMRQDKXMRNONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-7(2)6-17-9-4-3-8(12(13)14)5-10(9)18(11,15)16/h3-5,7H,6H2,1-2H3,(H2,11,15,16).
What are the key properties of 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide?
2-(2-methylpropoxy)-5-nitrobenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43164364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).