6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide

C17H15Cl2N3O4S — CID 30659159

IUPAC6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCOc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C17H15Cl2N3O4S/c1-12-10-17(21-26-12)22(8-9-25-15-5-3-2-4-14(15)18)27(23,24)13-6-7-16(19)20-11-13/h2-7,10-11H,8-9H2,1H3
InChIKeyMSHCSXRRPMRRHW-UHFFFAOYSA-N
MW428.30 g/mol
LogP3.96
Rot. Bonds7

About 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide

6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (PubChem CID 30659159) has the molecular formula C17H15Cl2N3O4S and a molecular weight of 428.30 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
PubChem CID30659159
Molecular FormulaC17H15Cl2N3O4S
Molecular Weight428.30 g/mol
Exact Mass427.02
IUPAC Name6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
SMILESCc1cc(N(CCOc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C17H15Cl2N3O4S/c1-12-10-17(21-26-12)22(8-9-25-15-5-3-2-4-14(15)18)27(23,24)13-6-7-16(19)20-11-13/h2-7,10-11H,8-9H2,1H3
InChIKeyMSHCSXRRPMRRHW-UHFFFAOYSA-N
XLogP3.96
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 30659130
2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 30659142
2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide
CID 43047298
3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
CID 78860934
N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide
CID 25468270
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83084968
2-(2-chlorophenoxy)ethyl 4-methylbenzenesulfonate
CID 11823601
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 24551180
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide
CID 107651008
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide (CID 30659159) is 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is Cc1cc(N(CCOc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)nc2)no1.
What is the InChIKey of 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is MSHCSXRRPMRRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O4S/c1-12-10-17(21-26-12)22(8-9-25-15-5-3-2-4-14(15)18)27(23,24)13-6-7-16(19)20-11-13/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide?
6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 428.30 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 30659159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).