3-(benzenesulfonyl)-6-chloroisoquinoline

C15H10ClNO2S — CID 175600340

IUPAC3-(benzenesulfonyl)-6-chloroisoquinoline
SMILESO=S(=O)(c1ccccc1)c1cc2cc(Cl)ccc2cn1
InChIInChI=1S/C15H10ClNO2S/c16-13-7-6-11-10-17-15(9-12(11)8-13)20(18,19)14-4-2-1-3-5-14/h1-10H
InChIKeyBAXGGYDZEYGBNG-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.72
Rot. Bonds2

About 3-(benzenesulfonyl)-6-chloroisoquinoline

3-(benzenesulfonyl)-6-chloroisoquinoline (PubChem CID 175600340) has the molecular formula C15H10ClNO2S and a molecular weight of 303.77 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-chloroisoquinoline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-chloroisoquinoline
PubChem CID175600340
Molecular FormulaC15H10ClNO2S
Molecular Weight303.77 g/mol
Exact Mass303.01
IUPAC Name3-(benzenesulfonyl)-6-chloroisoquinoline
SMILESO=S(=O)(c1ccccc1)c1cc2cc(Cl)ccc2cn1
InChIInChI=1S/C15H10ClNO2S/c16-13-7-6-11-10-17-15(9-12(11)8-13)20(18,19)14-4-2-1-3-5-14/h1-10H
InChIKeyBAXGGYDZEYGBNG-UHFFFAOYSA-N
XLogP3.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-7-chloroquinoxaline
CID 70552396
2-(benzenesulfonyl)-6,7-dichloroquinoxaline
CID 70552660
3-(benzenesulfonyl)-7-chloro-1,2,4-benzotriazine
CID 56612765
2-(4-chlorophenyl)sulfonylquinoline
CID 122229120
2-(benzenesulfonyl)-5-chloroaniline
CID 20552660
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
5-(benzenesulfonyl)-4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine
CID 3776419
5-(3-chlorophenyl)sulfonylpyrimidin-2-amine
CID 82305723
2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine
CID 54138788
2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline
CID 70549795
2-(benzenesulfonyl)-5-nitropyridine
CID 1477595
2-chloronaphthalene;naphthalene
CID 159169098

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-chloroisoquinoline?
The IUPAC name of 3-(benzenesulfonyl)-6-chloroisoquinoline (CID 175600340) is 3-(benzenesulfonyl)-6-chloroisoquinoline.
What is the SMILES notation for 3-(benzenesulfonyl)-6-chloroisoquinoline?
The canonical SMILES for 3-(benzenesulfonyl)-6-chloroisoquinoline is O=S(=O)(c1ccccc1)c1cc2cc(Cl)ccc2cn1.
What is the InChIKey of 3-(benzenesulfonyl)-6-chloroisoquinoline?
The InChIKey is BAXGGYDZEYGBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2S/c16-13-7-6-11-10-17-15(9-12(11)8-13)20(18,19)14-4-2-1-3-5-14/h1-10H.
What are the key properties of 3-(benzenesulfonyl)-6-chloroisoquinoline?
3-(benzenesulfonyl)-6-chloroisoquinoline has a molecular weight of 303.77 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-chloroisoquinoline is sourced from PubChem (CID 175600340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).