4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide

C18H20N2O3S — CID 25047906

IUPAC4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1OCC(C)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-5-4-6-14(2)18(13)23-12-15(3)20-24(21,22)17-9-7-16(11-19)8-10-17/h4-10,15,20H,12H2,1-3H3
InChIKeyFHOHXOAJYOKLBZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.92
Rot. Bonds6

About 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide

4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide (PubChem CID 25047906) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
PubChem CID25047906
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1OCC(C)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-5-4-6-14(2)18(13)23-12-15(3)20-24(21,22)17-9-7-16(11-19)8-10-17/h4-10,15,20H,12H2,1-3H3
InChIKeyFHOHXOAJYOKLBZ-UHFFFAOYSA-N
XLogP2.92
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
CID 4995794
4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113239018
4-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662739
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 47392283
4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 3790571
2-[(4-cyanophenyl)sulfonylamino]-2-(2,3-dimethylphenyl)acetic acid
CID 146128500
[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8000368
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
4-cyano-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429866
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide (CID 25047906) is 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide is Cc1cccc(C)c1OCC(C)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide?
The InChIKey is FHOHXOAJYOKLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-5-4-6-14(2)18(13)23-12-15(3)20-24(21,22)17-9-7-16(11-19)8-10-17/h4-10,15,20H,12H2,1-3H3.
What are the key properties of 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide?
4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25047906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).