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

C10H7Cl2NO3S — CID 170733656

IUPAC7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H7Cl2NO3S/c1-13-5-9(17(12,15)16)7-3-2-6(11)4-8(7)10(13)14/h2-5H,1H3
InChIKeyRGJRKVXOASRPQU-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.12
Rot. Bonds1

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

7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride (PubChem CID 170733656) has the molecular formula C10H7Cl2NO3S and a molecular weight of 292.14 g/mol. Its IUPAC name is 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride.

Molecular Properties

Compound Name7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride
PubChem CID170733656
Molecular FormulaC10H7Cl2NO3S
Molecular Weight292.14 g/mol
Exact Mass290.95
IUPAC Name7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)c2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H7Cl2NO3S/c1-13-5-9(17(12,15)16)7-3-2-6(11)4-8(7)10(13)14/h2-5H,1H3
InChIKeyRGJRKVXOASRPQU-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

Analyze 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride?
The IUPAC name of 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride (CID 170733656) is 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride.
What is the SMILES notation for 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride?
The canonical SMILES for 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride is Cn1cc(S(=O)(=O)Cl)c2ccc(Cl)cc2c1=O.
What is the InChIKey of 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride?
The InChIKey is RGJRKVXOASRPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3S/c1-13-5-9(17(12,15)16)7-3-2-6(11)4-8(7)10(13)14/h2-5H,1H3.
What are the key properties of 7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride?
7-chloro-2-methyl-1-oxoisoquinoline-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-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride is sourced from PubChem (CID 170733656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).