1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide

C11H14N2O2S — CID 9167352

IUPAC1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C11H14N2O2S/c1-9(2)13-16(14,15)8-11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3
InChIKeyJPGWZGPXJCIUHP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.39
Rot. Bonds4

About 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide

1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 9167352) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide
PubChem CID9167352
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C11H14N2O2S/c1-9(2)13-16(14,15)8-11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3
InChIKeyJPGWZGPXJCIUHP-UHFFFAOYSA-N
XLogP1.39
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide (CID 9167352) is 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is JPGWZGPXJCIUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9(2)13-16(14,15)8-11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3.
What are the key properties of 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide?
1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 9167352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).