N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide

C10H14N2O6S — CID 43502283

IUPACN-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CO)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O6S/c1-7(6-13)11-19(16,17)10-4-3-8(18-2)5-9(10)12(14)15/h3-5,7,11,13H,6H2,1-2H3
InChIKeyIFWUQFQPRWYWAW-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.26
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide

N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide (PubChem CID 43502283) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
PubChem CID43502283
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC NameN-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CO)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O6S/c1-7(6-13)11-19(16,17)10-4-3-8(18-2)5-9(10)12(14)15/h3-5,7,11,13H,6H2,1-2H3
InChIKeyIFWUQFQPRWYWAW-UHFFFAOYSA-N
XLogP0.26
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2-nitrobenzenesulfonamide
CID 79245918
4-fluoro-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 43502280
4-methoxy-2-nitro-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994519
N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43501926
N-(1-hydroxypropan-2-yl)-4-methoxy-N-methyl-2-nitrobenzenesulfonamide
CID 115776367
N-(1-aminopentan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 65193073
4-methoxy-N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 51330818
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
methyl (2R,3R)-3-[(4-methoxy-2-nitrophenyl)sulfonylamino]-2-methyl-3-phenylpropanoate
CID 96527787
2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid
CID 60713550
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 104858875
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 86931208

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide (CID 43502283) is N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)CO)c([N+](=O)[O-])c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide?
The InChIKey is IFWUQFQPRWYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-7(6-13)11-19(16,17)10-4-3-8(18-2)5-9(10)12(14)15/h3-5,7,11,13H,6H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide?
N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide has a molecular weight of 290.30 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 43502283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).