3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide

C16H14F2N2O3S — CID 8815523

IUPAC3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C16H14F2N2O3S/c17-16(18)23-14-6-4-12(5-7-14)8-9-20-24(21,22)15-3-1-2-13(10-15)11-19/h1-7,10,16,20H,8-9H2
InChIKeyIJEQTNIETSWAIH-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.68
Rot. Bonds7

About 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide

3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide (PubChem CID 8815523) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
PubChem CID8815523
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C16H14F2N2O3S/c17-16(18)23-14-6-4-12(5-7-14)8-9-20-24(21,22)15-3-1-2-13(10-15)11-19/h1-7,10,16,20H,8-9H2
InChIKeyIJEQTNIETSWAIH-UHFFFAOYSA-N
XLogP2.68
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide 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-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide
CID 8815415
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 26545327
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
3-cyano-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121937
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461
3-(difluoromethoxy)benzonitrile
CID 2736988
3-[[[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-ylidene]amino]-dihydroxy-λ4-sulfanyl]benzonitrile
CID 123184770
3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 115581954

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide (CID 8815523) is 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The InChIKey is IJEQTNIETSWAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c17-16(18)23-14-6-4-12(5-7-14)8-9-20-24(21,22)15-3-1-2-13(10-15)11-19/h1-7,10,16,20H,8-9H2.
What are the key properties of 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide has a molecular weight of 352.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 8815523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).