N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide

C9H11N3O2S — CID 23126828

IUPACN-[2-[amino(cyano)methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(N)C#N
InChIInChI=1S/C9H11N3O2S/c1-15(13,14)12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,12H,11H2,1H3
InChIKeyFXMDLMMOHHHNNR-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.58
Rot. Bonds3

About N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide

N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide (PubChem CID 23126828) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[amino(cyano)methyl]phenyl]methanesulfonamide
PubChem CID23126828
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-[2-[amino(cyano)methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(N)C#N
InChIInChI=1S/C9H11N3O2S/c1-15(13,14)12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,12H,11H2,1H3
InChIKeyFXMDLMMOHHHNNR-UHFFFAOYSA-N
XLogP0.58
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide (CID 23126828) is N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C(N)C#N.
What is the InChIKey of N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide?
The InChIKey is FXMDLMMOHHHNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-15(13,14)12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,12H,11H2,1H3.
What are the key properties of N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide?
N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 23126828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).