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

C13H13ClN2O3S — CID 974271

IUPAC3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-19-13-3-2-11(8-12(13)14)20(17,18)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3
InChIKeyIHQWDXDPHJAMIV-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.22
Rot. Bonds5

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

3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 974271) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID974271
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-19-13-3-2-11(8-12(13)14)20(17,18)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3
InChIKeyIHQWDXDPHJAMIV-UHFFFAOYSA-N
XLogP2.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-3-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 609536
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2240759
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 970502
2-(3-Chloro-4-methoxy-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 3162899
3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 870239
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-isopropylbenzenesulfonamide
CID 1471207
5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3668507

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 974271) is 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccncc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is IHQWDXDPHJAMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-13-3-2-11(8-12(13)14)20(17,18)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 974271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).