N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide

C13H11ClN2O3S — CID 103607627

IUPACN-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C13H11ClN2O3S/c1-20(18,19)10-6-4-9(5-7-10)13(17)16-11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyUTGIWRDSELTSTI-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.39
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide

N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide (PubChem CID 103607627) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
PubChem CID103607627
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC NameN-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C13H11ClN2O3S/c1-20(18,19)10-6-4-9(5-7-10)13(17)16-11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyUTGIWRDSELTSTI-UHFFFAOYSA-N
XLogP2.39
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.39
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-(2-chloro-3-pyridinyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2382084
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 59811361
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide
CID 164511155
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide (CID 103607627) is N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cccnc2Cl)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide?
The InChIKey is UTGIWRDSELTSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-20(18,19)10-6-4-9(5-7-10)13(17)16-11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide?
N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide has a molecular weight of 310.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 103607627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).