N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide

C10H14N2O5S — CID 65112756

IUPACN-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-10(2,13)7-11-18(16,17)9-5-3-4-8(6-9)12(14)15/h3-6,11,13H,7H2,1-2H3
InChIKeyMBWXFTAOARMTMF-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.64
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide

N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide (PubChem CID 65112756) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
PubChem CID65112756
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-10(2,13)7-11-18(16,17)9-5-3-4-8(6-9)12(14)15/h3-6,11,13H,7H2,1-2H3
InChIKeyMBWXFTAOARMTMF-UHFFFAOYSA-N
XLogP0.64
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
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-hydroxy-2-methylpropyl)-4-nitrobenzenesulfonamide
CID 65113024
N-(2-cyano-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 104626574
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 104626488
N-(2-tert-butylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 2966976
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-nitrobenzenesulfonamide
CID 65113257
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
3-nitro-N-octylbenzenesulfonamide
CID 19681347
N-(2-hydroxy-4-methylpentyl)-3-nitrobenzenesulfonamide
CID 104626172
N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
CID 104626179
N'-methyl-3-nitrobenzenesulfonohydrazide
CID 67127032
2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
CID 106169538
silver 3-nitrobenzenesulfonate
CID 139842266

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide (CID 65112756) is N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide?
The InChIKey is MBWXFTAOARMTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-10(2,13)7-11-18(16,17)9-5-3-4-8(6-9)12(14)15/h3-6,11,13H,7H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide?
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 65112756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).