2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C16H20N2O2S — CID 747990

IUPAC2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C16H20N2O2S/c1-12(2)14-8-7-13(3)16(10-14)21(19,20)18-11-15-6-4-5-9-17-15/h4-10,12,18H,11H2,1-3H3
InChIKeyHVUPUZRTMJGBGO-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.99
Rot. Bonds5

About 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide

2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 747990) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID747990
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C16H20N2O2S/c1-12(2)14-8-7-13(3)16(10-14)21(19,20)18-11-15-6-4-5-9-17-15/h4-10,12,18H,11H2,1-3H3
InChIKeyHVUPUZRTMJGBGO-UHFFFAOYSA-N
XLogP2.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 747990) is 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is HVUPUZRTMJGBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(2)14-8-7-13(3)16(10-14)21(19,20)18-11-15-6-4-5-9-17-15/h4-10,12,18H,11H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 747990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).