2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C19H20Cl2N2O3S — CID 16834941

IUPAC2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C19H20Cl2N2O3S/c1-2-10-27(25,26)23-9-3-4-13-11-15(6-8-18(13)23)22-19(24)16-12-14(20)5-7-17(16)21/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyOQRCODPJOTXXGP-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.74
Rot. Bonds5

About 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 16834941) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID16834941
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C19H20Cl2N2O3S/c1-2-10-27(25,26)23-9-3-4-13-11-15(6-8-18(13)23)22-19(24)16-12-14(20)5-7-17(16)21/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyOQRCODPJOTXXGP-UHFFFAOYSA-N
XLogP4.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-nitro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834956
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
3,4-diethoxy-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637193
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
CID 16835427
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 91812719

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 16834941) is 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc21.
What is the InChIKey of 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is OQRCODPJOTXXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-2-10-27(25,26)23-9-3-4-13-11-15(6-8-18(13)23)22-19(24)16-12-14(20)5-7-17(16)21/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24).
What are the key properties of 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 427.35 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 16834941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).