N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide

C15H16N2O3S — CID 43104761

IUPACN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
SMILESC/C(=N\O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12(16-18)14-7-9-15(10-8-14)17-21(19,20)11-13-5-3-2-4-6-13/h2-10,17-18H,11H2,1H3/b16-12+
InChIKeySOMWNWJVRUINIS-FOWTUZBSSA-N
MW304.37 g/mol
LogP2.83
Rot. Bonds5

About N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide

N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide (PubChem CID 43104761) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
PubChem CID43104761
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
SMILESC/C(=N\O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12(16-18)14-7-9-15(10-8-14)17-21(19,20)11-13-5-3-2-4-6-13/h2-10,17-18H,11H2,1H3/b16-12+
InChIKeySOMWNWJVRUINIS-FOWTUZBSSA-N
XLogP2.83
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.83
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-(benzylsulfonylamino)phenyl]acetamide
CID 743927
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 6612326
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 76904451
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide
CID 110778693
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-1-phenylmethanesulfonamide
CID 110352351
N-(methylideneamino)-1-phenylmethanesulfonamide
CID 141191936
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 24703518

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide (CID 43104761) is N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide is C/C(=N\O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is SOMWNWJVRUINIS-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12(16-18)14-7-9-15(10-8-14)17-21(19,20)11-13-5-3-2-4-6-13/h2-10,17-18H,11H2,1H3/b16-12+.
What are the key properties of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide?
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 43104761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).