3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride

C10H8ClNO3S — CID 75357403

IUPAC3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride
SMILESCc1cc2cc(S(=O)(=O)Cl)ccc2[nH]c1=O
InChIInChI=1S/C10H8ClNO3S/c1-6-4-7-5-8(16(11,14)15)2-3-9(7)12-10(6)13/h2-5H,1H3,(H,12,13)
InChIKeyPTAXFVRHTAHJDN-UHFFFAOYSA-N
MW257.70 g/mol
LogP1.76
Rot. Bonds1

About 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride

3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride (PubChem CID 75357403) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride
PubChem CID75357403
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride
SMILESCc1cc2cc(S(=O)(=O)Cl)ccc2[nH]c1=O
InChIInChI=1S/C10H8ClNO3S/c1-6-4-7-5-8(16(11,14)15)2-3-9(7)12-10(6)13/h2-5H,1H3,(H,12,13)
InChIKeyPTAXFVRHTAHJDN-UHFFFAOYSA-N
XLogP1.76
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride?
The IUPAC name of 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride (CID 75357403) is 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride.
What is the SMILES notation for 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride?
The canonical SMILES for 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride is Cc1cc2cc(S(=O)(=O)Cl)ccc2[nH]c1=O.
What is the InChIKey of 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride?
The InChIKey is PTAXFVRHTAHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c1-6-4-7-5-8(16(11,14)15)2-3-9(7)12-10(6)13/h2-5H,1H3,(H,12,13).
What are the key properties of 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride?
3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride has a molecular weight of 257.70 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride is sourced from PubChem (CID 75357403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).