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

C12H11ClN2O3S — CID 609536

IUPAC4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O3S/c1-18-12-7-10(4-5-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h2-8,15H,1H3
InChIKeyDRKGWWDAEQQNDI-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.54
Rot. Bonds4

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

4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 609536) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID609536
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O3S/c1-18-12-7-10(4-5-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h2-8,15H,1H3
InChIKeyDRKGWWDAEQQNDI-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide (CID 609536) is 4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is DRKGWWDAEQQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-18-12-7-10(4-5-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h2-8,15H,1H3.
What are the key properties of 4-chloro-3-methoxy-N-pyridin-3-ylbenzenesulfonamide?
4-chloro-3-methoxy-N-pyridin-3-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-3-ylbenzenesulfonamide is sourced from PubChem (CID 609536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).