2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide

C13H11Cl3N2O2S — CID 26969811

IUPAC2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccnc2Cl)c1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-7-6-9(14)8(2)12(11(7)15)21(19,20)18-10-4-3-5-17-13(10)16/h3-6,18H,1-2H3
InChIKeySIESHZSBOSGAKM-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.46
Rot. Bonds3

About 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 26969811) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
PubChem CID26969811
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccnc2Cl)c1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-7-6-9(14)8(2)12(11(7)15)21(19,20)18-10-4-3-5-17-13(10)16/h3-6,18H,1-2H3
InChIKeySIESHZSBOSGAKM-UHFFFAOYSA-N
XLogP4.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 8500581
2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 61108863
3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 61108865
2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 40734479
N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43602656
2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 8519137
2,5-dichloro-3,6-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663268
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide
CID 115750897
N-(2-chloro-3-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 103721869
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide (CID 26969811) is 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cccnc2Cl)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is SIESHZSBOSGAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-7-6-9(14)8(2)12(11(7)15)21(19,20)18-10-4-3-5-17-13(10)16/h3-6,18H,1-2H3.
What are the key properties of 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 365.67 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 26969811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).