N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide

C11H14N2O3S — CID 77046511

IUPACN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide
SMILESCC(=NO)c1ccccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C11H14N2O3S/c1-8(12-14)10-4-2-3-5-11(10)13-17(15,16)9-6-7-9/h2-5,9,13-14H,6-7H2,1H3
InChIKeyPMRUJIUVXJIWKJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide

N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide (PubChem CID 77046511) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide
PubChem CID77046511
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide
SMILESCC(=NO)c1ccccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C11H14N2O3S/c1-8(12-14)10-4-2-3-5-11(10)13-17(15,16)9-6-7-9/h2-5,9,13-14H,6-7H2,1H3
InChIKeyPMRUJIUVXJIWKJ-UHFFFAOYSA-N
XLogP1.79
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propane-1-sulfonamide
CID 24693382
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521277
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519551
2-[(1,1-dioxothian-4-yl)sulfonylamino]benzoic acid
CID 62084938
2-(cyclopropylsulfonylamino)-N-(2-ethoxyphenyl)benzamide
CID 71598556
2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
CID 77046512
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115179
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
N-[2-(cyclohexanecarbonyl)phenyl]methanesulfonamide
CID 14771346
N-cyclohexyl-2-(N-hydroxy-C-methylcarbonimidoyl)benzamide
CID 88846781
3-[4-[[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]sulfamoyl]phenyl]-2,2-dimethylpropanoic acid
CID 174762874

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide (CID 77046511) is N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide is CC(=NO)c1ccccc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide?
The InChIKey is PMRUJIUVXJIWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8(12-14)10-4-2-3-5-11(10)13-17(15,16)9-6-7-9/h2-5,9,13-14H,6-7H2,1H3.
What are the key properties of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide?
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 77046511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).