2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine

C23H21NO2S2 — CID 70998577

IUPAC2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)c1ccc(C2CC2)cc1Sc1ccccn1
InChIInChI=1S/C23H21NO2S2/c25-28(26,20-11-9-16-4-3-5-18(16)14-20)22-12-10-19(17-7-8-17)15-21(22)27-23-6-1-2-13-24-23/h1-2,6,9-15,17H,3-5,7-8H2
InChIKeyXNFHWJMUIIOFQR-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.43
Rot. Bonds5

About 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine

2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine (PubChem CID 70998577) has the molecular formula C23H21NO2S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine.

Molecular Properties

Compound Name2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine
PubChem CID70998577
Molecular FormulaC23H21NO2S2
Molecular Weight407.56 g/mol
Exact Mass407.10
IUPAC Name2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)c1ccc(C2CC2)cc1Sc1ccccn1
InChIInChI=1S/C23H21NO2S2/c25-28(26,20-11-9-16-4-3-5-18(16)14-20)22-12-10-19(17-7-8-17)15-21(22)27-23-6-1-2-13-24-23/h1-2,6,9-15,17H,3-5,7-8H2
InChIKeyXNFHWJMUIIOFQR-UHFFFAOYSA-N
XLogP5.43
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine
CID 70998589
N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 10482191
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 75384389
N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110661050
N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187641
6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
CID 57430782
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801242
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
CID 66446406

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine?
The IUPAC name of 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine (CID 70998577) is 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine.
What is the SMILES notation for 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine?
The canonical SMILES for 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine is O=S(=O)(c1ccc2c(c1)CCC2)c1ccc(C2CC2)cc1Sc1ccccn1.
What is the InChIKey of 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine?
The InChIKey is XNFHWJMUIIOFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S2/c25-28(26,20-11-9-16-4-3-5-18(16)14-20)22-12-10-19(17-7-8-17)15-21(22)27-23-6-1-2-13-24-23/h1-2,6,9-15,17H,3-5,7-8H2.
What are the key properties of 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine?
2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine has a molecular weight of 407.56 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine is sourced from PubChem (CID 70998577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).