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

C15H17ClN2O3S — CID 653931

IUPACN-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C15H17ClN2O3S/c1-4-21-13-7-11(3)14(8-10(13)2)22(19,20)18-15-6-5-12(16)9-17-15/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeySRRAUJLURFUOQT-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.55
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 653931) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
PubChem CID653931
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC NameN-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C15H17ClN2O3S/c1-4-21-13-7-11(3)14(8-10(13)2)22(19,20)18-15-6-5-12(16)9-17-15/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeySRRAUJLURFUOQT-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)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352
5-tert-butyl-N-(5-chloro-2-pyridinyl)-2-ethoxybenzenesulfonamide
CID 7574330
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
CID 35202531
4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986731

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide (CID 653931) is N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is SRRAUJLURFUOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-4-21-13-7-11(3)14(8-10(13)2)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)-4-ethoxy-2,5-dimethylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-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)-4-ethoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 653931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).