N-(2-cyanophenyl)butane-1-sulfonamide

C11H14N2O2S — CID 5065530

IUPACN-(2-cyanophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H14N2O2S/c1-2-3-8-16(14,15)13-11-7-5-4-6-10(11)9-12/h4-7,13H,2-3,8H2,1H3
InChIKeyYRLVZOOOLKFMDF-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.10
Rot. Bonds5

About N-(2-cyanophenyl)butane-1-sulfonamide

N-(2-cyanophenyl)butane-1-sulfonamide (PubChem CID 5065530) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)butane-1-sulfonamide
PubChem CID5065530
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2-cyanophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H14N2O2S/c1-2-3-8-16(14,15)13-11-7-5-4-6-10(11)9-12/h4-7,13H,2-3,8H2,1H3
InChIKeyYRLVZOOOLKFMDF-UHFFFAOYSA-N
XLogP2.10
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
1-cyano-2-(diethylsulfamoylamino)benzene
CID 28785032
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695848
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
2-(butylsulfonylamino)benzamide
CID 17376030
N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 173327955
N-(2-amino-4-cyanophenyl)butane-1-sulfonamide
CID 78965267
3-[(2-cyanophenyl)sulfamoyl]-2-methylpropanoic acid
CID 82019591
2-(dodecylamino)benzonitrile
CID 63488308
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)butane-1-sulfonamide?
The IUPAC name of N-(2-cyanophenyl)butane-1-sulfonamide (CID 5065530) is N-(2-cyanophenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-cyanophenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)butane-1-sulfonamide?
The InChIKey is YRLVZOOOLKFMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-3-8-16(14,15)13-11-7-5-4-6-10(11)9-12/h4-7,13H,2-3,8H2,1H3.
What are the key properties of N-(2-cyanophenyl)butane-1-sulfonamide?
N-(2-cyanophenyl)butane-1-sulfonamide has a molecular weight of 238.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)butane-1-sulfonamide is sourced from PubChem (CID 5065530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).