N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide

C13H12N2O2S2 — CID 56794323

IUPACN-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc(C#N)s2)c1
InChIInChI=1S/C13H12N2O2S2/c1-19(16,17)15-9-10-3-2-4-11(7-10)13-6-5-12(8-14)18-13/h2-7,15H,9H2,1H3
InChIKeyNHWCYPZCOXBANQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.34
Rot. Bonds4

About N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide

N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide (PubChem CID 56794323) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide
PubChem CID56794323
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC NameN-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc(C#N)s2)c1
InChIInChI=1S/C13H12N2O2S2/c1-19(16,17)15-9-10-3-2-4-11(7-10)13-6-5-12(8-14)18-13/h2-7,15H,9H2,1H3
InChIKeyNHWCYPZCOXBANQ-UHFFFAOYSA-N
XLogP2.34
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide
CID 56928978
N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106265208
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
5-(3-methoxyphenyl)thiophene-2-carbonitrile
CID 82078599
N-[(3-nitrosophenyl)methyl]methanesulfonamide
CID 123247228
CID 70601747
CID 70601747
5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile
CID 55030874
benzyl 3-(5-cyanothiophen-2-yl)benzoate
CID 172650997
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 108782467
4-[4-(5-cyanothiophen-2-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851121
[3-(methanesulfonamidomethyl)phenyl]-methyl-oxoazanium
CID 123326478
N-[3-[(5-cyanothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743740

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide (CID 56794323) is N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(-c2ccc(C#N)s2)c1.
What is the InChIKey of N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is NHWCYPZCOXBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-19(16,17)15-9-10-3-2-4-11(7-10)13-6-5-12(8-14)18-13/h2-7,15H,9H2,1H3.
What are the key properties of N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide?
N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 292.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 56794323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).