N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide

C12H11ClN2O3S — CID 75448368

IUPACN-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H11ClN2O3S/c1-18-10-4-2-3-5-11(10)19(16,17)15-9-6-7-14-12(13)8-9/h2-8H,1H3,(H,14,15)
InChIKeyLEZBUEJLMMBPDE-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.54
Rot. Bonds4

About N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide

N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 75448368) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID75448368
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC NameN-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H11ClN2O3S/c1-18-10-4-2-3-5-11(10)19(16,17)15-9-6-7-14-12(13)8-9/h2-8H,1H3,(H,14,15)
InChIKeyLEZBUEJLMMBPDE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 104826712
N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
CID 47141612
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 51093687
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
2-[2-chloro-4-[(2-methoxyphenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
CID 55603766
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide (CID 75448368) is N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is LEZBUEJLMMBPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-18-10-4-2-3-5-11(10)19(16,17)15-9-6-7-14-12(13)8-9/h2-8H,1H3,(H,14,15).
What are the key properties of N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide?
N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide 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 N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 75448368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).