N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide

C17H20N2O3S — CID 6376097

IUPACN'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide
SMILESCCOc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(C)C)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-22-15-10-12-16(13-11-15)23(20,21)18-17(19(2)3)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3/b18-17-
InChIKeyQIFLSIVNRTZHRN-ZCXUNETKSA-N
MW332.43 g/mol
LogP2.78
Rot. Bonds5

About N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide

N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide (PubChem CID 6376097) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide
PubChem CID6376097
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide
SMILESCCOc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(C)C)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-22-15-10-12-16(13-11-15)23(20,21)18-17(19(2)3)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3/b18-17-
InChIKeyQIFLSIVNRTZHRN-ZCXUNETKSA-N
XLogP2.78
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide (CID 6376097) is N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide is CCOc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(C)C)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide?
The InChIKey is QIFLSIVNRTZHRN-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-22-15-10-12-16(13-11-15)23(20,21)18-17(19(2)3)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3/b18-17-.
What are the key properties of N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide?
N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide has a molecular weight of 332.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)sulfonyl-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 6376097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).