N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide

C20H25FN2O2S — CID 134838608

IUPACN'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide
SMILESCCCN(CCC)/C(Cc1ccc(F)cc1)=N\S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25FN2O2S/c1-3-14-23(15-4-2)20(16-17-10-12-18(21)13-11-17)22-26(24,25)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3/b22-20-
InChIKeyRZPPVJDYHXBQSK-XDOYNYLZSA-N
MW376.50 g/mol
LogP4.28
Rot. Bonds8

About N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide

N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide (PubChem CID 134838608) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide
PubChem CID134838608
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide
SMILESCCCN(CCC)/C(Cc1ccc(F)cc1)=N\S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25FN2O2S/c1-3-14-23(15-4-2)20(16-17-10-12-18(21)13-11-17)22-26(24,25)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3/b22-20-
InChIKeyRZPPVJDYHXBQSK-XDOYNYLZSA-N
XLogP4.28
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide?
The IUPAC name of N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide (CID 134838608) is N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide?
The canonical SMILES for N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide is CCCN(CCC)/C(Cc1ccc(F)cc1)=N\S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide?
The InChIKey is RZPPVJDYHXBQSK-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-3-14-23(15-4-2)20(16-17-10-12-18(21)13-11-17)22-26(24,25)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3/b22-20-.
What are the key properties of N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide?
N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide has a molecular weight of 376.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-(4-fluorophenyl)-N,N-dipropylethanimidamide is sourced from PubChem (CID 134838608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).