N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide

C9H12N2O3S — CID 6612326

IUPACN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
SMILESCC(=NO)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-7(10-12)8-3-5-9(6-4-8)11-15(2,13)14/h3-6,11-12H,1-2H3
InChIKeyKMCJFKOUJJEHMP-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.26
Rot. Bonds3

About N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide

N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide (PubChem CID 6612326) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
PubChem CID6612326
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
SMILESCC(=NO)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-7(10-12)8-3-5-9(6-4-8)11-15(2,13)14/h3-6,11-12H,1-2H3
InChIKeyKMCJFKOUJJEHMP-UHFFFAOYSA-N
XLogP1.26
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.26
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-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
CID 43104761
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 24703518
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methylsulfonylacetamide
CID 77015312
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519547
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 76904451
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
(NZ)-N-[1-(4-iodophenyl)ethylidene]hydroxylamine
CID 11470978
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide
CID 23454955
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
CID 90390717
CID 90390717

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide (CID 6612326) is N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide is CC(=NO)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide?
The InChIKey is KMCJFKOUJJEHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-7(10-12)8-3-5-9(6-4-8)11-15(2,13)14/h3-6,11-12H,1-2H3.
What are the key properties of N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide?
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide has a molecular weight of 228.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 6612326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).