[5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide

C19H21N3O2S — CID 166251511

IUPAC[5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide
SMILESCC1(c2ccccc2)CC(Nc2ccc(C#N)cc2CS(N)(=O)=O)C1
InChIInChI=1S/C19H21N3O2S/c1-19(16-5-3-2-4-6-16)10-17(11-19)22-18-8-7-14(12-20)9-15(18)13-25(21,23)24/h2-9,17,22H,10-11,13H2,1H3,(H2,21,23,24)
InChIKeyHHDVZHWSPYRDLA-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.88
Rot. Bonds5

About [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide

[5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide (PubChem CID 166251511) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide
PubChem CID166251511
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name[5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide
SMILESCC1(c2ccccc2)CC(Nc2ccc(C#N)cc2CS(N)(=O)=O)C1
InChIInChI=1S/C19H21N3O2S/c1-19(16-5-3-2-4-6-16)10-17(11-19)22-18-8-7-14(12-20)9-15(18)13-25(21,23)24/h2-9,17,22H,10-11,13H2,1H3,(H2,21,23,24)
InChIKeyHHDVZHWSPYRDLA-UHFFFAOYSA-N
XLogP2.88
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide?
The IUPAC name of [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide (CID 166251511) is [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide is CC1(c2ccccc2)CC(Nc2ccc(C#N)cc2CS(N)(=O)=O)C1.
What is the InChIKey of [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide?
The InChIKey is HHDVZHWSPYRDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-19(16-5-3-2-4-6-16)10-17(11-19)22-18-8-7-14(12-20)9-15(18)13-25(21,23)24/h2-9,17,22H,10-11,13H2,1H3,(H2,21,23,24).
What are the key properties of [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide?
[5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyano-2-[(3-methyl-3-phenylcyclobutyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 166251511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).