N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide

C13H13ClN2O2S — CID 131843711

IUPACN-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccnc2Cl)cc1
InChIInChI=1S/C13H13ClN2O2S/c1-10-5-7-11(8-6-10)19(17,18)16(2)12-4-3-9-15-13(12)14/h3-9H,1-2H3
InChIKeyQFYMDRSJHOOXHS-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.87
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide

N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 131843711) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
PubChem CID131843711
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccnc2Cl)cc1
InChIInChI=1S/C13H13ClN2O2S/c1-10-5-7-11(8-6-10)19(17,18)16(2)12-4-3-9-15-13(12)14/h3-9H,1-2H3
InChIKeyQFYMDRSJHOOXHS-UHFFFAOYSA-N
XLogP2.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
CID 11652789
5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
CID 11494255
N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide
CID 10850659
N-(6-amino-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557679
N-(2-chloro-3-pyridinyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789287
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363
N-(6-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557676
N,4-dimethyl-N-[2-(4-methylphenyl)sulfinylphenyl]benzenesulfonamide
CID 100925407
2-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]benzoic acid
CID 43621552
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43886795

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide (CID 131843711) is N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cccnc2Cl)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is QFYMDRSJHOOXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-10-5-7-11(8-6-10)19(17,18)16(2)12-4-3-9-15-13(12)14/h3-9H,1-2H3.
What are the key properties of N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide?
N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 131843711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).