2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide

C17H16N2O3S — CID 1471309

IUPAC2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C17H16N2O3S/c1-12(2)19-17(20)14-8-4-6-10-16(14)23(21,22)15-9-5-3-7-13(15)11-18/h3-10,12H,1-2H3,(H,19,20)
InChIKeyPTTYSZVJKNJBMM-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide

2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide (PubChem CID 1471309) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide
PubChem CID1471309
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C17H16N2O3S/c1-12(2)19-17(20)14-8-4-6-10-16(14)23(21,22)15-9-5-3-7-13(15)11-18/h3-10,12H,1-2H3,(H,19,20)
InChIKeyPTTYSZVJKNJBMM-UHFFFAOYSA-N
XLogP2.53
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide (CID 1471309) is 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide?
The InChIKey is PTTYSZVJKNJBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12(2)19-17(20)14-8-4-6-10-16(14)23(21,22)15-9-5-3-7-13(15)11-18/h3-10,12H,1-2H3,(H,19,20).
What are the key properties of 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide?
2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 1471309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).