N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide

C11H15BrN2O3S — CID 155244783

IUPACN'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCCOc1cccc(Br)c1S(=O)(=O)/N=C/N(C)C
InChIInChI=1S/C11H15BrN2O3S/c1-4-17-10-7-5-6-9(12)11(10)18(15,16)13-8-14(2)3/h5-8H,4H2,1-3H3/b13-8+
InChIKeyNWSSKTJTCYRRFX-MDWZMJQESA-N
MW335.22 g/mol
LogP2.13
Rot. Bonds5

About N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 155244783) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID155244783
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCCOc1cccc(Br)c1S(=O)(=O)/N=C/N(C)C
InChIInChI=1S/C11H15BrN2O3S/c1-4-17-10-7-5-6-9(12)11(10)18(15,16)13-8-14(2)3/h5-8H,4H2,1-3H3/b13-8+
InChIKeyNWSSKTJTCYRRFX-MDWZMJQESA-N
XLogP2.13
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
CID 165176417
(2-ethoxyphenyl) 2-bromobenzenesulfonate
CID 26948942
2-bromo-6-ethoxybenzenethiol
CID 91874370
(2-bromo-6-ethoxyphenyl)phosphonic acid
CID 175587032
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126189694
3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71830210
N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide
CID 177411301
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
ethyl 3-bromo-2-sulfamoylbenzoate
CID 18434647
1-(2-bromo-6-ethoxyphenyl)ethanol
CID 133057756
1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine
CID 83899796
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide
CID 110518819

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide (CID 155244783) is N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide is CCOc1cccc(Br)c1S(=O)(=O)/N=C/N(C)C.
What is the InChIKey of N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is NWSSKTJTCYRRFX-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-4-17-10-7-5-6-9(12)11(10)18(15,16)13-8-14(2)3/h5-8H,4H2,1-3H3/b13-8+.
What are the key properties of N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 335.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 155244783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).