4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide

C13H14N2O3S — CID 741470

IUPAC4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1C
InChIInChI=1S/C13H14N2O3S/c1-10-9-11(6-7-12(10)18-2)19(16,17)15-13-5-3-4-8-14-13/h3-9H,1-2H3,(H,14,15)
InChIKeyCWAKDGRXIYXBNV-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.20
Rot. Bonds4

About 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide

4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 741470) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID741470
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1C
InChIInChI=1S/C13H14N2O3S/c1-10-9-11(6-7-12(10)18-2)19(16,17)15-13-5-3-4-8-14-13/h3-9H,1-2H3,(H,14,15)
InChIKeyCWAKDGRXIYXBNV-UHFFFAOYSA-N
XLogP2.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-cyclopropyl-benzenesulfonamide
CID 67325548
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
4-Methoxy-2,3-dimethyl-N-pyridin-3-yl-benzenesulfonamide
CID 1088781
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide (CID 741470) is 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccn2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is CWAKDGRXIYXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-10-9-11(6-7-12(10)18-2)19(16,17)15-13-5-3-4-8-14-13/h3-9H,1-2H3,(H,14,15).
What are the key properties of 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide?
4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 741470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).