2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide

C15H18N2O2S — CID 1160021

IUPAC2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C15H18N2O2S/c1-11(2)13-5-4-12(3)15(10-13)20(18,19)17-14-6-8-16-9-7-14/h4-11H,1-3H3,(H,16,17)
InChIKeyGKABGHPRVSZSRX-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.31
Rot. Bonds4

About 2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide

2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 1160021) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID1160021
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C15H18N2O2S/c1-11(2)13-5-4-12(3)15(10-13)20(18,19)17-14-6-8-16-9-7-14/h4-11H,1-3H3,(H,16,17)
InChIKeyGKABGHPRVSZSRX-UHFFFAOYSA-N
XLogP3.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.31
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-4-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide (CID 1160021) is 2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide is Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1.
What is the InChIKey of 2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is GKABGHPRVSZSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(2)13-5-4-12(3)15(10-13)20(18,19)17-14-6-8-16-9-7-14/h4-11H,1-3H3,(H,16,17).
What are the key properties of 2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide?
2-methyl-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 3.31, 4 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-4-ylbenzenesulfonamide is sourced from PubChem (CID 1160021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).