1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide

C15H22N2O3S — CID 60681169

IUPAC1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C15H22N2O3S/c1-4-11(2)16-21(19,20)14-7-8-15-13(10-14)6-5-9-17(15)12(3)18/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyPVEHFEKBBPOKRT-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.06
Rot. Bonds4

About 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 60681169) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID60681169
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C15H22N2O3S/c1-4-11(2)16-21(19,20)14-7-8-15-13(10-14)6-5-9-17(15)12(3)18/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyPVEHFEKBBPOKRT-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133191767
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 25490576
1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 95637329
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 133191766
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 60681169) is 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCC(C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is PVEHFEKBBPOKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-11(2)16-21(19,20)14-7-8-15-13(10-14)6-5-9-17(15)12(3)18/h7-8,10-11,16H,4-6,9H2,1-3H3.
What are the key properties of 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 60681169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).