1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile

C14H14Cl2N2O2S — CID 136548117

IUPAC1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CS(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)CC1
InChIInChI=1S/C14H14Cl2N2O2S/c15-10-6-12(16)11-2-1-5-18(13(11)7-10)21(19,20)9-14(8-17)3-4-14/h6-7H,1-5,9H2
InChIKeyMYEWMQPTIPZDTM-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.38
Rot. Bonds3

About 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile

1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile (PubChem CID 136548117) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile
PubChem CID136548117
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CS(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)CC1
InChIInChI=1S/C14H14Cl2N2O2S/c15-10-6-12(16)11-2-1-5-18(13(11)7-10)21(19,20)9-14(8-17)3-4-14/h6-7H,1-5,9H2
InChIKeyMYEWMQPTIPZDTM-UHFFFAOYSA-N
XLogP3.38
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dihydropyrrol-1-ylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 175807928
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
2-[(1-cyanocyclopropyl)methylsulfonyl]-7-fluoro-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 167848698
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280
1-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)sulfonylmethyl]cyclopentane-1-carbonitrile
CID 127996672
(1-cyanocyclopropyl)methanesulfonamide
CID 75450915
1-[(6-chloro-1'-isoquinolin-4-yl-2'-oxospiro[1,3-dihydroisoquinoline-4,3'-piperidine]-2-yl)sulfonylmethyl]cyclopropane-1-carbonitrile
CID 169423450
1-[[6-chloro-1'-(5-chloro-7-fluoroisoquinolin-4-yl)-2'-oxospiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2-yl]sulfonylmethyl]cyclopropane-1-carbonitrile
CID 169423425
5,7-dimethoxy-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110671604
1-[(6-chloro-1'-isoquinolin-4-yl-2'-oxospiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2-yl)sulfonylmethyl]cyclopentane-1-carbonitrile
CID 169423430
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468

Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile (CID 136548117) is 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile is N#CC1(CS(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)CC1.
What is the InChIKey of 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile?
The InChIKey is MYEWMQPTIPZDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-10-6-12(16)11-2-1-5-18(13(11)7-10)21(19,20)9-14(8-17)3-4-14/h6-7H,1-5,9H2.
What are the key properties of 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile?
1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile has a molecular weight of 345.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)sulfonylmethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 136548117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).