1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride

C12H10ClN3O3S — CID 107915023

IUPAC1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride
SMILESCc1nnc(Cn2cc(S(=O)(=O)Cl)c3ccccc32)o1
InChIInChI=1S/C12H10ClN3O3S/c1-8-14-15-12(19-8)7-16-6-11(20(13,17)18)9-4-2-3-5-10(9)16/h2-6H,7H2,1H3
InChIKeyDAGYFVMZXUZRDJ-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.31
Rot. Bonds3

About 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride (PubChem CID 107915023) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride
PubChem CID107915023
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride
SMILESCc1nnc(Cn2cc(S(=O)(=O)Cl)c3ccccc32)o1
InChIInChI=1S/C12H10ClN3O3S/c1-8-14-15-12(19-8)7-16-6-11(20(13,17)18)9-4-2-3-5-10(9)16/h2-6H,7H2,1H3
InChIKeyDAGYFVMZXUZRDJ-UHFFFAOYSA-N
XLogP2.31
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride?
The IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride (CID 107915023) is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride.
What is the SMILES notation for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride?
The canonical SMILES for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride is Cc1nnc(Cn2cc(S(=O)(=O)Cl)c3ccccc32)o1.
What is the InChIKey of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride?
The InChIKey is DAGYFVMZXUZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c1-8-14-15-12(19-8)7-16-6-11(20(13,17)18)9-4-2-3-5-10(9)16/h2-6H,7H2,1H3.
What are the key properties of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride?
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride has a molecular weight of 311.75 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride is sourced from PubChem (CID 107915023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).