5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide

C15H20N2O3S — CID 103743706

IUPAC5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cc(C#N)ccc2C)C1(C)C
InChIInChI=1S/C15H20N2O3S/c1-10-5-6-11(9-16)7-12(10)21(18,19)17-13-8-14(20-4)15(13,2)3/h5-7,13-14,17H,8H2,1-4H3
InChIKeyOWTBXEUTJNRJJF-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.96
Rot. Bonds4

About 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide

5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide (PubChem CID 103743706) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
PubChem CID103743706
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cc(C#N)ccc2C)C1(C)C
InChIInChI=1S/C15H20N2O3S/c1-10-5-6-11(9-16)7-12(10)21(18,19)17-13-8-14(20-4)15(13,2)3/h5-7,13-14,17H,8H2,1-4H3
InChIKeyOWTBXEUTJNRJJF-UHFFFAOYSA-N
XLogP1.96
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
5-cyano-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685043
cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
4-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191303
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 104600117
5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 115756395
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119313
5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 103990150
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide
CID 114632566
5-cyano-2-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 103743788

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide (CID 103743706) is 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide is COC1CC(NS(=O)(=O)c2cc(C#N)ccc2C)C1(C)C.
What is the InChIKey of 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The InChIKey is OWTBXEUTJNRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-5-6-11(9-16)7-12(10)21(18,19)17-13-8-14(20-4)15(13,2)3/h5-7,13-14,17H,8H2,1-4H3.
What are the key properties of 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103743706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).