4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide

C13H16N2O3S — CID 103990185

IUPAC4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(C#N)cc2)CCC1
InChIInChI=1S/C13H16N2O3S/c1-18-13(7-2-8-13)10-15-19(16,17)12-5-3-11(9-14)4-6-12/h3-6,15H,2,7-8,10H2,1H3
InChIKeyCRNZDRBCPIDHQE-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.41
Rot. Bonds5

About 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide

4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 103990185) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
PubChem CID103990185
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(C#N)cc2)CCC1
InChIInChI=1S/C13H16N2O3S/c1-18-13(7-2-8-13)10-15-19(16,17)12-5-3-11(9-14)4-6-12/h3-6,15H,2,7-8,10H2,1H3
InChIKeyCRNZDRBCPIDHQE-UHFFFAOYSA-N
XLogP1.41
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 103990150
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
CID 113411790
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106091027
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
3-(aminomethyl)-N-[(1-methoxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 106091014
3-chloro-4-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001077
4-cyano-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429866
5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide
CID 114120943
3-cyano-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104706009
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 113362666

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide (CID 103990185) is 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide is COC1(CNS(=O)(=O)c2ccc(C#N)cc2)CCC1.
What is the InChIKey of 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is CRNZDRBCPIDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-13(7-2-8-13)10-15-19(16,17)12-5-3-11(9-14)4-6-12/h3-6,15H,2,7-8,10H2,1H3.
What are the key properties of 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103990185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).