N-(methylideneamino)-1-phenylmethanesulfonamide

C8H10N2O2S — CID 141191936

IUPACN-(methylideneamino)-1-phenylmethanesulfonamide
SMILESC=NNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-9-10-13(11,12)7-8-5-3-2-4-6-8/h2-6,10H,1,7H2
InChIKeyHDATVAXGZAOWJZ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.72
Rot. Bonds4

About N-(methylideneamino)-1-phenylmethanesulfonamide

N-(methylideneamino)-1-phenylmethanesulfonamide (PubChem CID 141191936) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(methylideneamino)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(methylideneamino)-1-phenylmethanesulfonamide
PubChem CID141191936
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-(methylideneamino)-1-phenylmethanesulfonamide
SMILESC=NNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-9-10-13(11,12)7-8-5-3-2-4-6-8/h2-6,10H,1,7H2
InChIKeyHDATVAXGZAOWJZ-UHFFFAOYSA-N
XLogP0.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-iodo-1-phenylmethanesulfonamide
CID 88874569
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357
1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide
CID 137319141
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-benzylsulfonylbenzenesulfonamide
CID 102116917

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)-1-phenylmethanesulfonamide?
The IUPAC name of N-(methylideneamino)-1-phenylmethanesulfonamide (CID 141191936) is N-(methylideneamino)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(methylideneamino)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(methylideneamino)-1-phenylmethanesulfonamide is C=NNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(methylideneamino)-1-phenylmethanesulfonamide?
The InChIKey is HDATVAXGZAOWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-9-10-13(11,12)7-8-5-3-2-4-6-8/h2-6,10H,1,7H2.
What are the key properties of N-(methylideneamino)-1-phenylmethanesulfonamide?
N-(methylideneamino)-1-phenylmethanesulfonamide has a molecular weight of 198.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)-1-phenylmethanesulfonamide is sourced from PubChem (CID 141191936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).