1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide

C10H12N2O5S — CID 107745957

IUPAC1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)CC2CC2)c(O)c1
InChIInChI=1S/C10H12N2O5S/c13-10-5-8(12(14)15)3-4-9(10)11-18(16,17)6-7-1-2-7/h3-5,7,11,13H,1-2,6H2
InChIKeyZFBMZQPJCJCYQH-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.45
Rot. Bonds5

About 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide

1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide (PubChem CID 107745957) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
PubChem CID107745957
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)CC2CC2)c(O)c1
InChIInChI=1S/C10H12N2O5S/c13-10-5-8(12(14)15)3-4-9(10)11-18(16,17)6-7-1-2-7/h3-5,7,11,13H,1-2,6H2
InChIKeyZFBMZQPJCJCYQH-UHFFFAOYSA-N
XLogP1.45
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745976
2-[(cyclopropylmethylamino)methyl]-4-nitrophenol
CID 115602981
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
CID 64987508
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
(2-hydroxy-4-nitrophenyl)cyanamide
CID 107857211
3-[(2-methoxy-4-nitrophenyl)sulfamoyl]propanoic acid
CID 43361824
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide (CID 107745957) is 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)CC2CC2)c(O)c1.
What is the InChIKey of 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide?
The InChIKey is ZFBMZQPJCJCYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c13-10-5-8(12(14)15)3-4-9(10)11-18(16,17)6-7-1-2-7/h3-5,7,11,13H,1-2,6H2.
What are the key properties of 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide?
1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide has a molecular weight of 272.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 107745957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).