4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide

C16H20N2O2S — CID 113091997

IUPAC4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)(C)c2cccnc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-13-7-9-15(10-8-13)21(19,20)18-16(2,3)14-6-5-11-17-12-14/h5-12,18H,4H2,1-3H3
InChIKeyRMNRNTGICXXLRV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.86
Rot. Bonds5

About 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide

4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide (PubChem CID 113091997) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide
PubChem CID113091997
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)(C)c2cccnc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-13-7-9-15(10-8-13)21(19,20)18-16(2,3)14-6-5-11-17-12-14/h5-12,18H,4H2,1-3H3
InChIKeyRMNRNTGICXXLRV-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide (CID 113091997) is 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)(C)c2cccnc2)cc1.
What is the InChIKey of 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is RMNRNTGICXXLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-13-7-9-15(10-8-13)21(19,20)18-16(2,3)14-6-5-11-17-12-14/h5-12,18H,4H2,1-3H3.
What are the key properties of 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide?
4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-pyridin-3-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113091997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).