N-(4-methyl-2-pyridinyl)benzenesulfonamide

C12H12N2O2S — CID 739341

IUPACN-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C12H12N2O2S/c1-10-7-8-13-12(9-10)14-17(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)
InChIKeyTUZNSVHPQINMJX-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.19
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)benzenesulfonamide

N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 739341) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID739341
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C12H12N2O2S/c1-10-7-8-13-12(9-10)14-17(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)
InChIKeyTUZNSVHPQINMJX-UHFFFAOYSA-N
XLogP2.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 739341) is N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is TUZNSVHPQINMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-10-7-8-13-12(9-10)14-17(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14).
What are the key properties of N-(4-methyl-2-pyridinyl)benzenesulfonamide?
N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 248.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 739341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).