(2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride

C10H10ClNO3S — CID 117403381

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride
SMILESO=C1CCc2cccc(CS(=O)(=O)Cl)c2N1
InChIInChI=1S/C10H10ClNO3S/c11-16(14,15)6-8-3-1-2-7-4-5-9(13)12-10(7)8/h1-3H,4-6H2,(H,12,13)
InChIKeyZHWBDGGQZYMEEL-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.64
Rot. Bonds2

About (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride

(2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride (PubChem CID 117403381) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride
PubChem CID117403381
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride
SMILESO=C1CCc2cccc(CS(=O)(=O)Cl)c2N1
InChIInChI=1S/C10H10ClNO3S/c11-16(14,15)6-8-3-1-2-7-4-5-9(13)12-10(7)8/h1-3H,4-6H2,(H,12,13)
InChIKeyZHWBDGGQZYMEEL-UHFFFAOYSA-N
XLogP1.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-oxo-4H-1,4-benzoxazin-5-yl)methanesulfonyl chloride
CID 117408994
8-(isocyanatomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117290751
8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117402589
2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride
CID 84706770
3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride
CID 84710914
7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115103899
9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 53359998
8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 168637313
8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 57115682
8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20540658
7-(2-aminoethyl)-1,3-dihydroindol-2-one
CID 82410863
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride (CID 117403381) is (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride is O=C1CCc2cccc(CS(=O)(=O)Cl)c2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride?
The InChIKey is ZHWBDGGQZYMEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-16(14,15)6-8-3-1-2-7-4-5-9(13)12-10(7)8/h1-3H,4-6H2,(H,12,13).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride?
(2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride has a molecular weight of 259.71 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-8-yl)methanesulfonyl chloride is sourced from PubChem (CID 117403381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).