N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide

C12H16N2O3S — CID 62647776

IUPACN-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(CC#N)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H16N2O3S/c1-3-10(8-9-13)14-18(15,16)12-6-4-11(17-2)5-7-12/h4-7,10,14H,3,8H2,1-2H3
InChIKeyIWBAFELFXQLIKN-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.67
Rot. Bonds6

About N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide

N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 62647776) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID62647776
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(CC#N)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H16N2O3S/c1-3-10(8-9-13)14-18(15,16)12-6-4-11(17-2)5-7-12/h4-7,10,14H,3,8H2,1-2H3
InChIKeyIWBAFELFXQLIKN-UHFFFAOYSA-N
XLogP1.67
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
CID 65033930
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
CID 3409975
N-(1-cyanobutan-2-yl)-3-methylbenzenesulfonamide
CID 62647600
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
3-bromo-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62648307
3-cyano-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62646004
N-(1-cyanobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 62645831
N-(1-cyanobutan-2-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 62647076
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64647341
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide (CID 62647776) is N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide is CCC(CC#N)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is IWBAFELFXQLIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-10(8-9-13)14-18(15,16)12-6-4-11(17-2)5-7-12/h4-7,10,14H,3,8H2,1-2H3.
What are the key properties of N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide?
N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 62647776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).