N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide

C11H17NO2S2 — CID 121219437

IUPACN-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide
SMILESCCS(CC)=NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H17NO2S2/c1-3-15(4-2)12-16(13,14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyZGRWLMDUFPDMKX-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.36
Rot. Bonds5

About N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide

N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide (PubChem CID 121219437) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide
PubChem CID121219437
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide
SMILESCCS(CC)=NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H17NO2S2/c1-3-15(4-2)12-16(13,14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyZGRWLMDUFPDMKX-UHFFFAOYSA-N
XLogP2.36
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-oxo-1-phenylmethanesulfonamide
CID 87885271
N-(oxomethylidene)-1-phenylmethanesulfonamide
CID 14850654
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
alumane;phenylmethanesulfonic acid
CID 174435213
N-ethyl-N-fluoro-1-phenylmethanesulfonamide
CID 118574457
2,2-diethoxyethylsulfonylmethylbenzene
CID 64641584
[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane
CID 122208778
CID 68896583
CID 68896583
cerium(3+);phenylmethanesulfonate
CID 141496553
[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
CID 6158098
azane;phenylmethanesulfonamide
CID 67842568
phenylmethanesulfonic acid;phosphane
CID 173374603

Frequently Asked Questions

What is the IUPAC name of N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide?
The IUPAC name of N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide (CID 121219437) is N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide is CCS(CC)=NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide?
The InChIKey is ZGRWLMDUFPDMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-3-15(4-2)12-16(13,14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide?
N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide has a molecular weight of 259.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide is sourced from PubChem (CID 121219437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).