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

C12H11ClN2O3S — CID 674105

IUPAC4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl
InChIInChI=1S/C12H11ClN2O3S/c1-18-11-8-9(5-6-10(11)13)19(16,17)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15)
InChIKeyYDFWVQDTODNHNL-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.54
Rot. Bonds4

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

4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 674105) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
PubChem CID674105
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl
InChIInChI=1S/C12H11ClN2O3S/c1-18-11-8-9(5-6-10(11)13)19(16,17)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15)
InChIKeyYDFWVQDTODNHNL-UHFFFAOYSA-N
XLogP2.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
CID 35203130
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074
2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide
CID 43456606
3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide
CID 110758249
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzenesulfonamide
CID 163349923
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide (CID 674105) is 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is YDFWVQDTODNHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-18-11-8-9(5-6-10(11)13)19(16,17)15-12-4-2-3-7-14-12/h2-8H,1H3,(H,14,15).
What are the key properties of 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide?
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 674105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).