N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide

C22H24N2O3S — CID 155618979

IUPACN-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide
SMILESCOc1cnccc1-c1cccc(C(C)(C)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H24N2O3S/c1-22(2,16-24-28(25,26)19-10-5-4-6-11-19)18-9-7-8-17(14-18)20-12-13-23-15-21(20)27-3/h4-15,24H,16H2,1-3H3
InChIKeyATXBTBJMQRNUGW-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.01
Rot. Bonds7

About N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide

N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide (PubChem CID 155618979) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide
PubChem CID155618979
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide
SMILESCOc1cnccc1-c1cccc(C(C)(C)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H24N2O3S/c1-22(2,16-24-28(25,26)19-10-5-4-6-11-19)18-9-7-8-17(14-18)20-12-13-23-15-21(20)27-3/h4-15,24H,16H2,1-3H3
InChIKeyATXBTBJMQRNUGW-UHFFFAOYSA-N
XLogP4.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide?
The IUPAC name of N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide (CID 155618979) is N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide is COc1cnccc1-c1cccc(C(C)(C)CNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide?
The InChIKey is ATXBTBJMQRNUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-22(2,16-24-28(25,26)19-10-5-4-6-11-19)18-9-7-8-17(14-18)20-12-13-23-15-21(20)27-3/h4-15,24H,16H2,1-3H3.
What are the key properties of N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide?
N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 155618979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).