N'-(benzenesulfonyl)methanimidamide

C7H8N2O2S — CID 69238367

IUPACN'-(benzenesulfonyl)methanimidamide
SMILESNC=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8N2O2S/c8-6-9-12(10,11)7-4-2-1-3-5-7/h1-6H,(H2,8,9)
InChIKeyYJDVYAQGJSMJPP-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.36
Rot. Bonds2

About N'-(benzenesulfonyl)methanimidamide

N'-(benzenesulfonyl)methanimidamide (PubChem CID 69238367) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is N'-(benzenesulfonyl)methanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)methanimidamide
PubChem CID69238367
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC NameN'-(benzenesulfonyl)methanimidamide
SMILESNC=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8N2O2S/c8-6-9-12(10,11)7-4-2-1-3-5-7/h1-6H,(H2,8,9)
InChIKeyYJDVYAQGJSMJPP-UHFFFAOYSA-N
XLogP0.36
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide
CID 11830668
N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide
CID 155672633
(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
CID 23240617
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
ethyl N-(benzenesulfonyl)methanimidothioate
CID 68716188
chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide
CID 23578469
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide
CID 34555254
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
benzenesulfonic acid;formamide
CID 161208956
(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
CID 6045437

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)methanimidamide?
The IUPAC name of N'-(benzenesulfonyl)methanimidamide (CID 69238367) is N'-(benzenesulfonyl)methanimidamide.
What is the SMILES notation for N'-(benzenesulfonyl)methanimidamide?
The canonical SMILES for N'-(benzenesulfonyl)methanimidamide is NC=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)methanimidamide?
The InChIKey is YJDVYAQGJSMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-6-9-12(10,11)7-4-2-1-3-5-7/h1-6H,(H2,8,9).
What are the key properties of N'-(benzenesulfonyl)methanimidamide?
N'-(benzenesulfonyl)methanimidamide has a molecular weight of 184.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)methanimidamide is sourced from PubChem (CID 69238367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).