1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride

C12H16ClNO2S — CID 84713685

IUPAC1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
SMILESCC(C)N1CCCc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C12H16ClNO2S/c1-9(2)14-7-3-4-10-5-6-11(8-12(10)14)17(13,15)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeySNQSVYVWOGDPQG-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.78
Rot. Bonds2

About 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride

1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride (PubChem CID 84713685) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride.

Molecular Properties

Compound Name1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
PubChem CID84713685
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC Name1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
SMILESCC(C)N1CCCc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C12H16ClNO2S/c1-9(2)14-7-3-4-10-5-6-11(8-12(10)14)17(13,15)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeySNQSVYVWOGDPQG-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropanoyl)-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
CID 54594044
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
tert-butyl 7-chlorosulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 131556812
1-ethyl-2,3-dihydroindole-6-sulfonyl chloride
CID 55279318
(E)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)but-2-enoate
CID 18466796
2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanamine
CID 82263620
1,7-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridin-7-ium
CID 154613216
3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 158071157
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
2-piperazin-1-yl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanone
CID 82263629
ethane;1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 143531326
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride?
The IUPAC name of 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride (CID 84713685) is 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride.
What is the SMILES notation for 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride?
The canonical SMILES for 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride is CC(C)N1CCCc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride?
The InChIKey is SNQSVYVWOGDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-9(2)14-7-3-4-10-5-6-11(8-12(10)14)17(13,15)16/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride?
1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride has a molecular weight of 273.79 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride is sourced from PubChem (CID 84713685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).