N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide

C13H13ClN2O2S — CID 839492

IUPACN-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C13H13ClN2O2S/c1-9-3-5-12(7-10(9)2)19(17,18)16-13-6-4-11(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyVUDNVQNMMRGCBY-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.15
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide

N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 839492) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
PubChem CID839492
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C13H13ClN2O2S/c1-9-3-5-12(7-10(9)2)19(17,18)16-13-6-4-11(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyVUDNVQNMMRGCBY-UHFFFAOYSA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide (CID 839492) is N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is VUDNVQNMMRGCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-9-3-5-12(7-10(9)2)19(17,18)16-13-6-4-11(14)8-15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 839492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).