N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide

C12H14N2O2S — CID 113465544

IUPACN-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
SMILESC=CCCNS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O2S/c1-2-3-8-14-17(15,16)10-12-6-4-11(9-13)5-7-12/h2,4-7,14H,1,3,8,10H2
InChIKeyWYHFAFCNXJTXQN-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.55
Rot. Bonds6

About N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide

N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 113465544) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
PubChem CID113465544
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
SMILESC=CCCNS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O2S/c1-2-3-8-14-17(15,16)10-12-6-4-11(9-13)5-7-12/h2,4-7,14H,1,3,8,10H2
InChIKeyWYHFAFCNXJTXQN-UHFFFAOYSA-N
XLogP1.55
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide
CID 61461257
1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
CID 60697689
1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
CID 106189115
1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide
CID 106325562
4-hex-5-enylbenzonitrile
CID 582246
1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide
CID 103461770
1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
CID 107857451
1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
CID 106384997
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
N-methylmethanamine;4-prop-2-enylbenzonitrile
CID 142157746

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide (CID 113465544) is N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide is C=CCCNS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is WYHFAFCNXJTXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-3-8-14-17(15,16)10-12-6-4-11(9-13)5-7-12/h2,4-7,14H,1,3,8,10H2.
What are the key properties of N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide?
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 113465544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).