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

C15H17ClN2O3S — CID 6473352

IUPACN-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN2O3S/c1-4-21-13-7-10(2)11(3)8-14(13)22(19,20)18-15-6-5-12(16)9-17-15/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyMDLDBIHONPLLMY-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.55
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 6473352) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
PubChem CID6473352
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN2O3S/c1-4-21-13-7-10(2)11(3)8-14(13)22(19,20)18-15-6-5-12(16)9-17-15/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyMDLDBIHONPLLMY-UHFFFAOYSA-N
XLogP3.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide
CID 7574330
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
CID 35202531
N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide (CID 6473352) is N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is MDLDBIHONPLLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-4-21-13-7-10(2)11(3)8-14(13)22(19,20)18-15-6-5-12(16)9-17-15/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 340.83 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 6473352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).