(4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone

C15H12ClNOS — CID 14125915

IUPAC(4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1(Sc2ccccn2)CC1
InChIInChI=1S/C15H12ClNOS/c16-12-6-4-11(5-7-12)14(18)15(8-9-15)19-13-3-1-2-10-17-13/h1-7,10H,8-9H2
InChIKeySFNJEPMPXXRCRU-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.24
Rot. Bonds4

About (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone

(4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone (PubChem CID 14125915) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone
PubChem CID14125915
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name(4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1(Sc2ccccn2)CC1
InChIInChI=1S/C15H12ClNOS/c16-12-6-4-11(5-7-12)14(18)15(8-9-15)19-13-3-1-2-10-17-13/h1-7,10H,8-9H2
InChIKeySFNJEPMPXXRCRU-UHFFFAOYSA-N
XLogP4.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 22070190
(Z)-1-(4-chlorophenyl)-3-(dimethylamino)-2-pyridin-2-ylsulfanylprop-2-en-1-one
CID 6290289
(4-chlorophenyl)-[1-[2-(4-chlorophenyl)-2-sulfanylethyl]sulfanylcyclopropyl]methanone
CID 57253990
4-chloro-2-pyridin-2-ylsulfanylbenzoic acid
CID 63083040
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide
CID 4098418
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804232
S-pyridin-2-yl 4-methoxybenzenecarbothioate
CID 5097621
2-(1-bromocyclobutyl)sulfanylpyridine
CID 174783120

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone?
The IUPAC name of (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone (CID 14125915) is (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone is O=C(c1ccc(Cl)cc1)C1(Sc2ccccn2)CC1.
What is the InChIKey of (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone?
The InChIKey is SFNJEPMPXXRCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c16-12-6-4-11(5-7-12)14(18)15(8-9-15)19-13-3-1-2-10-17-13/h1-7,10H,8-9H2.
What are the key properties of (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone?
(4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone has a molecular weight of 289.79 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-pyridin-2-ylsulfanylcyclopropyl)methanone is sourced from PubChem (CID 14125915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).