N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide

C16H15N3O2S — CID 110865909

IUPACN-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESN#Cc1ccccc1NS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H15N3O2S/c17-12-14-7-1-3-9-15(14)18-22(20,21)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,18H,5,8,11H2
InChIKeyVVXOTFXCQKZZQM-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.67
Rot. Bonds3

About N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide

N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 110865909) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID110865909
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESN#Cc1ccccc1NS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H15N3O2S/c17-12-14-7-1-3-9-15(14)18-22(20,21)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,18H,5,8,11H2
InChIKeyVVXOTFXCQKZZQM-UHFFFAOYSA-N
XLogP2.67
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865860
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide
CID 28785025
N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991226
2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile
CID 109176532
2-[[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219683
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865660
2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877330
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 110865909) is N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is N#Cc1ccccc1NS(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is VVXOTFXCQKZZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-12-14-7-1-3-9-15(14)18-22(20,21)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,18H,5,8,11H2.
What are the key properties of N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 110865909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).