4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C13H14N2O3S — CID 809740

IUPAC4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C13H14N2O3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-10-11-3-2-8-14-9-11/h2-9,15H,10H2,1H3
InChIKeyLMJJUHXDNQKXAV-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.57
Rot. Bonds5

About 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 809740) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID809740
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C13H14N2O3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-10-11-3-2-8-14-9-11/h2-9,15H,10H2,1H3
InChIKeyLMJJUHXDNQKXAV-UHFFFAOYSA-N
XLogP1.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cgs-27023
CID 446504
3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
Butanamide, N-hydroxy-2-(((4-methoxyphenyl)sulfonyl)(3-pyridinylmethyl)amino)-3-methyl-, hydrochloride (1:1), (2R)-
CID 9888897
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]hexanamide
CID 10527557
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
CID 10645086
N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
4-(4-Cyanophenoxy)-3-pyridinesulfonamide
CID 46703769
Hexahydro quinoline derivative 1
CID 121325265
3-{4-Methoxy-3-[(pyridin-3-ylmethyl)-sulfamoyl]-phenyl}-acrylic acid
CID 711415

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 809740) is 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is LMJJUHXDNQKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-10-11-3-2-8-14-9-11/h2-9,15H,10H2,1H3.
What are the key properties of 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 809740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).