2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide

C17H17ClN2O3S — CID 126509632

IUPAC2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)CN2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C17H17ClN2O3S/c18-14-8-7-13(10-17(14)24(19,22)23)16(21)11-20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11H2,(H2,19,22,23)
InChIKeyMMGNCOIFIVYOIY-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.62
Rot. Bonds4

About 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide

2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide (PubChem CID 126509632) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide
PubChem CID126509632
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)CN2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C17H17ClN2O3S/c18-14-8-7-13(10-17(14)24(19,22)23)16(21)11-20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11H2,(H2,19,22,23)
InChIKeyMMGNCOIFIVYOIY-UHFFFAOYSA-N
XLogP2.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide (CID 126509632) is 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)CN2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide?
The InChIKey is MMGNCOIFIVYOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-14-8-7-13(10-17(14)24(19,22)23)16(21)11-20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11H2,(H2,19,22,23).
What are the key properties of 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide?
2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 126509632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).