6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide

C13H13ClN2O3S — CID 115928099

IUPAC6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide
SMILESCCc1cc(Oc2ccc(S(N)(=O)=O)cn2)ccc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-2-9-7-10(3-5-12(9)14)19-13-6-4-11(8-16-13)20(15,17)18/h3-8H,2H2,1H3,(H2,15,17,18)
InChIKeySLCBSHRSHYTCDJ-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.74
Rot. Bonds4

About 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide

6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide (PubChem CID 115928099) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide
PubChem CID115928099
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide
SMILESCCc1cc(Oc2ccc(S(N)(=O)=O)cn2)ccc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-2-9-7-10(3-5-12(9)14)19-13-6-4-11(8-16-13)20(15,17)18/h3-8H,2H2,1H3,(H2,15,17,18)
InChIKeySLCBSHRSHYTCDJ-UHFFFAOYSA-N
XLogP2.74
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine
CID 70534531
6-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112572688
6-(3,5-dimethoxyphenoxy)pyridine-3-sulfonamide
CID 115928101
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
2-(3,4-dichlorophenoxy)-5-hexylsulfonylpyridine
CID 13102710
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
2-(4-chloro-3-ethylphenoxy)quinolin-6-amine
CID 43451123
[2-(4-chloro-3-ethylphenoxy)-4-pyridinyl]methanol
CID 61257143
(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
CID 83123923
6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide
CID 70291084
5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine
CID 13102727

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide?
The IUPAC name of 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide (CID 115928099) is 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide?
The canonical SMILES for 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide is CCc1cc(Oc2ccc(S(N)(=O)=O)cn2)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide?
The InChIKey is SLCBSHRSHYTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-2-9-7-10(3-5-12(9)14)19-13-6-4-11(8-16-13)20(15,17)18/h3-8H,2H2,1H3,(H2,15,17,18).
What are the key properties of 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide?
6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 115928099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).