7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride

C10H7Cl2NO3S — CID 170733582

IUPAC7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride
SMILESCn1c(=O)cc(S(=O)(=O)Cl)c2ccc(Cl)cc21
InChIInChI=1S/C10H7Cl2NO3S/c1-13-8-4-6(11)2-3-7(8)9(5-10(13)14)17(12,15)16/h2-5H,1H3
InChIKeyHXINOWVQJASXDL-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.12
Rot. Bonds1

About 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride

7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride (PubChem CID 170733582) has the molecular formula C10H7Cl2NO3S and a molecular weight of 292.14 g/mol. Its IUPAC name is 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride.

Molecular Properties

Compound Name7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride
PubChem CID170733582
Molecular FormulaC10H7Cl2NO3S
Molecular Weight292.14 g/mol
Exact Mass290.95
IUPAC Name7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride
SMILESCn1c(=O)cc(S(=O)(=O)Cl)c2ccc(Cl)cc21
InChIInChI=1S/C10H7Cl2NO3S/c1-13-8-4-6(11)2-3-7(8)9(5-10(13)14)17(12,15)16/h2-5H,1H3
InChIKeyHXINOWVQJASXDL-UHFFFAOYSA-N
XLogP2.12
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride
CID 170733656
6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride
CID 71305311
7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84628273
3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
CID 178050308
2,6-dichloro-1,3-dimethylindole
CID 117127818
3-chloro-5-methylindeno[2,1-b]quinoline-6,11-dione
CID 122194424
7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630321
5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
CID 144584589
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide
CID 20856556
7-chloro-1-hydroxy-2-methylisoquinolin-3-one
CID 54183727
2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride
CID 172614380
4-chloro-2-formylbenzenesulfonyl chloride
CID 174946793

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride?
The IUPAC name of 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride (CID 170733582) is 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride.
What is the SMILES notation for 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride?
The canonical SMILES for 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride is Cn1c(=O)cc(S(=O)(=O)Cl)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride?
The InChIKey is HXINOWVQJASXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3S/c1-13-8-4-6(11)2-3-7(8)9(5-10(13)14)17(12,15)16/h2-5H,1H3.
What are the key properties of 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride?
7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride has a molecular weight of 292.14 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride is sourced from PubChem (CID 170733582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).