1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide

C13H14N4O2S — CID 65231409

IUPAC1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H14N4O2S/c14-7-11-3-1-2-4-12(11)9-20(18,19)17-6-5-13-8-15-10-16-13/h1-4,8,10,17H,5-6,9H2,(H,15,16)
InChIKeyDQEDTXFDRNONKW-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.94
Rot. Bonds6

About 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide

1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide (PubChem CID 65231409) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
PubChem CID65231409
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H14N4O2S/c14-7-11-3-1-2-4-12(11)9-20(18,19)17-6-5-13-8-15-10-16-13/h1-4,8,10,17H,5-6,9H2,(H,15,16)
InChIKeyDQEDTXFDRNONKW-UHFFFAOYSA-N
XLogP0.94
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
CID 60729368
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
CID 103844643
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
CID 65231882
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746
N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
CID 79673996
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide
CID 61344906

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide (CID 65231409) is 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is DQEDTXFDRNONKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-7-11-3-1-2-4-12(11)9-20(18,19)17-6-5-13-8-15-10-16-13/h1-4,8,10,17H,5-6,9H2,(H,15,16).
What are the key properties of 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 65231409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).