3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide

C13H16N2O3S — CID 103896523

IUPAC3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cccc(C#N)c2)CCCOC1
InChIInChI=1S/C13H16N2O3S/c1-13(6-3-7-18-10-13)15-19(16,17)12-5-2-4-11(8-12)9-14/h2,4-5,8,15H,3,6-7,10H2,1H3
InChIKeyJYWXDQSLNUQIIT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.41
Rot. Bonds3

About 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide

3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide (PubChem CID 103896523) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
PubChem CID103896523
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cccc(C#N)c2)CCCOC1
InChIInChI=1S/C13H16N2O3S/c1-13(6-3-7-18-10-13)15-19(16,17)12-5-2-4-11(8-12)9-14/h2,4-5,8,15H,3,6-7,10H2,1H3
InChIKeyJYWXDQSLNUQIIT-UHFFFAOYSA-N
XLogP1.41
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-3-fluoro-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896512
3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 113482368
2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 75500304
2-chloro-N-(3-methyloxan-3-yl)pyridine-4-sulfonamide
CID 114113555
2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide
CID 106546677
N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide
CID 115767116
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557
3,6-difluoro-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 166272026
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide
CID 79699044
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide (CID 103896523) is 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide is CC1(NS(=O)(=O)c2cccc(C#N)c2)CCCOC1.
What is the InChIKey of 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide?
The InChIKey is JYWXDQSLNUQIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-13(6-3-7-18-10-13)15-19(16,17)12-5-2-4-11(8-12)9-14/h2,4-5,8,15H,3,6-7,10H2,1H3.
What are the key properties of 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide?
3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103896523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).