1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide

C12H10N2O2S2 — CID 66354772

IUPAC1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1ccsc1
InChIInChI=1S/C12H10N2O2S2/c13-7-10-3-1-2-4-11(10)9-18(15,16)14-12-5-6-17-8-12/h1-6,8,14H,9H2
InChIKeyZEFFJNVGIIYEFE-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide

1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide (PubChem CID 66354772) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
PubChem CID66354772
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1ccsc1
InChIInChI=1S/C12H10N2O2S2/c13-7-10-3-1-2-4-11(10)9-18(15,16)14-12-5-6-17-8-12/h1-6,8,14H,9H2
InChIKeyZEFFJNVGIIYEFE-UHFFFAOYSA-N
XLogP2.56
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
1-(2-cyanophenyl)-N-(6-methoxy-3-pyridinyl)methanesulfonamide
CID 29037208
4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
CID 45330184
1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823577
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 29031167
N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 28895851
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide (CID 66354772) is 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide is N#Cc1ccccc1CS(=O)(=O)Nc1ccsc1.
What is the InChIKey of 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide?
The InChIKey is ZEFFJNVGIIYEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c13-7-10-3-1-2-4-11(10)9-18(15,16)14-12-5-6-17-8-12/h1-6,8,14H,9H2.
What are the key properties of 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide?
1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide has a molecular weight of 278.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide is sourced from PubChem (CID 66354772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).