(3-chlorophenyl)sulfonyl-methanidylazanium

C7H8ClNO2S — CID 59280704

IUPAC(3-chlorophenyl)sulfonyl-methanidylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5H,1,9H2
InChIKeyBALGKFSDSUCGES-UHFFFAOYSA-N
MW205.67 g/mol
LogP0.38
Rot. Bonds2

About (3-chlorophenyl)sulfonyl-methanidylazanium

(3-chlorophenyl)sulfonyl-methanidylazanium (PubChem CID 59280704) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is (3-chlorophenyl)sulfonyl-methanidylazanium.

Molecular Properties

Compound Name(3-chlorophenyl)sulfonyl-methanidylazanium
PubChem CID59280704
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name(3-chlorophenyl)sulfonyl-methanidylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5H,1,9H2
InChIKeyBALGKFSDSUCGES-UHFFFAOYSA-N
XLogP0.38
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl)sulfonyl-methanidylazanium
CID 59280611
methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium
CID 59280550
potassium 3-chlorobenzenesulfonamide
CID 19353487
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chlorobenzenesulfonohydrazide
CID 12924057
1-chloro-3-ethenylsulfonylbenzene
CID 62950197
(3-chlorophenyl)sulfonylmethyl acetate
CID 151338896
1-chloro-3-(1-chloroethylsulfonyl)benzene
CID 173357719
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)sulfonyl-methanidylazanium?
The IUPAC name of (3-chlorophenyl)sulfonyl-methanidylazanium (CID 59280704) is (3-chlorophenyl)sulfonyl-methanidylazanium.
What is the SMILES notation for (3-chlorophenyl)sulfonyl-methanidylazanium?
The canonical SMILES for (3-chlorophenyl)sulfonyl-methanidylazanium is [CH2-][NH2+]S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)sulfonyl-methanidylazanium?
The InChIKey is BALGKFSDSUCGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5H,1,9H2.
What are the key properties of (3-chlorophenyl)sulfonyl-methanidylazanium?
(3-chlorophenyl)sulfonyl-methanidylazanium has a molecular weight of 205.67 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)sulfonyl-methanidylazanium is sourced from PubChem (CID 59280704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).