2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C18H19ClN2O3S — CID 42448556

IUPAC2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21
InChIInChI=1S/C18H19ClN2O3S/c1-2-18(22)21-11-5-6-13-9-10-14(12-16(13)21)20-25(23,24)17-8-4-3-7-15(17)19/h3-4,7-10,12,20H,2,5-6,11H2,1H3
InChIKeyVIPZOZSBUMMHSE-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.83
Rot. Bonds4

About 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 42448556) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID42448556
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21
InChIInChI=1S/C18H19ClN2O3S/c1-2-18(22)21-11-5-6-13-9-10-14(12-16(13)21)20-25(23,24)17-8-4-3-7-15(17)19/h3-4,7-10,12,20H,2,5-6,11H2,1H3
InChIKeyVIPZOZSBUMMHSE-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990163
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
CID 154934520
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-nitrobenzenesulfonamide
CID 7517558
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 7517597
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chlorobenzenesulfonamide
CID 16943710
N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 27605044
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 154934397
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517678

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 42448556) is 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21.
What is the InChIKey of 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is VIPZOZSBUMMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-2-18(22)21-11-5-6-13-9-10-14(12-16(13)21)20-25(23,24)17-8-4-3-7-15(17)19/h3-4,7-10,12,20H,2,5-6,11H2,1H3.
What are the key properties of 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 42448556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).