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

C13H13ClN2O2S — CID 8523459

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

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

N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 8523459) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
PubChem CID8523459
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-3-4-10(2)12(7-9)19(17,18)16-13-6-5-11(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyUVLDRTRUADUIRB-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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Related Compounds

N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113029754
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113034396

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide (CID 8523459) is N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is UVLDRTRUADUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-9-3-4-10(2)12(7-9)19(17,18)16-13-6-5-11(14)8-15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-2,5-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)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 8523459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).