4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride

C12H13ClN2O4S — CID 82915719

IUPAC4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCCCc1nc(COc2ccc(S(=O)(=O)Cl)cc2)no1
InChIInChI=1S/C12H13ClN2O4S/c1-2-3-12-14-11(15-19-12)8-18-9-4-6-10(7-5-9)20(13,16)17/h4-7H,2-3,8H2,1H3
InChIKeyNZUMOLZRZILHSX-UHFFFAOYSA-N
MW316.77 g/mol
LogP2.53
Rot. Bonds6

About 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride

4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82915719) has the molecular formula C12H13ClN2O4S and a molecular weight of 316.77 g/mol. Its IUPAC name is 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
PubChem CID82915719
Molecular FormulaC12H13ClN2O4S
Molecular Weight316.77 g/mol
Exact Mass316.03
IUPAC Name4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCCCc1nc(COc2ccc(S(=O)(=O)Cl)cc2)no1
InChIInChI=1S/C12H13ClN2O4S/c1-2-3-12-14-11(15-19-12)8-18-9-4-6-10(7-5-9)20(13,16)17/h4-7H,2-3,8H2,1H3
InChIKeyNZUMOLZRZILHSX-UHFFFAOYSA-N
XLogP2.53
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
3-chloro-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911293
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82916377
3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82912805
4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
CID 61495563
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
1-[5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79799529
5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
3-[(5-chloro-2-nitrophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 78953146
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179

Frequently Asked Questions

What is the IUPAC name of 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride (CID 82915719) is 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is CCCc1nc(COc2ccc(S(=O)(=O)Cl)cc2)no1.
What is the InChIKey of 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is NZUMOLZRZILHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S/c1-2-3-12-14-11(15-19-12)8-18-9-4-6-10(7-5-9)20(13,16)17/h4-7H,2-3,8H2,1H3.
What are the key properties of 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride?
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 316.77 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82915719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).