1-methyl-4-oxoquinoline-7-sulfonyl chloride

C10H8ClNO3S — CID 102028826

IUPAC1-methyl-4-oxoquinoline-7-sulfonyl chloride
SMILESCn1ccc(=O)c2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H8ClNO3S/c1-12-5-4-10(13)8-3-2-7(6-9(8)12)16(11,14)15/h2-6H,1H3
InChIKeyPUNAQQYGGABKFU-UHFFFAOYSA-N
MW257.70 g/mol
LogP1.47
Rot. Bonds1

About 1-methyl-4-oxoquinoline-7-sulfonyl chloride

1-methyl-4-oxoquinoline-7-sulfonyl chloride (PubChem CID 102028826) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 1-methyl-4-oxoquinoline-7-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-4-oxoquinoline-7-sulfonyl chloride
PubChem CID102028826
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name1-methyl-4-oxoquinoline-7-sulfonyl chloride
SMILESCn1ccc(=O)c2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H8ClNO3S/c1-12-5-4-10(13)8-3-2-7(6-9(8)12)16(11,14)15/h2-6H,1H3
InChIKeyPUNAQQYGGABKFU-UHFFFAOYSA-N
XLogP1.47
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxoquinoline-7-sulfonyl chloride?
The IUPAC name of 1-methyl-4-oxoquinoline-7-sulfonyl chloride (CID 102028826) is 1-methyl-4-oxoquinoline-7-sulfonyl chloride.
What is the SMILES notation for 1-methyl-4-oxoquinoline-7-sulfonyl chloride?
The canonical SMILES for 1-methyl-4-oxoquinoline-7-sulfonyl chloride is Cn1ccc(=O)c2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 1-methyl-4-oxoquinoline-7-sulfonyl chloride?
The InChIKey is PUNAQQYGGABKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c1-12-5-4-10(13)8-3-2-7(6-9(8)12)16(11,14)15/h2-6H,1H3.
What are the key properties of 1-methyl-4-oxoquinoline-7-sulfonyl chloride?
1-methyl-4-oxoquinoline-7-sulfonyl chloride has a molecular weight of 257.70 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxoquinoline-7-sulfonyl chloride is sourced from PubChem (CID 102028826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).