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

C23H21NO4S2 — CID 70998589

IUPAC2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)c1ccc(C2CC2)cc1S(=O)(=O)c1ccccn1
InChIInChI=1S/C23H21NO4S2/c25-29(26,20-11-9-16-4-3-5-18(16)14-20)21-12-10-19(17-7-8-17)15-22(21)30(27,28)23-6-1-2-13-24-23/h1-2,6,9-15,17H,3-5,7-8H2
InChIKeyKMMWYVZCTBRMOB-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.11
Rot. Bonds5

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

2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine (PubChem CID 70998589) has the molecular formula C23H21NO4S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine
PubChem CID70998589
Molecular FormulaC23H21NO4S2
Molecular Weight439.56 g/mol
Exact Mass439.09
IUPAC Name2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)c1ccc(C2CC2)cc1S(=O)(=O)c1ccccn1
InChIInChI=1S/C23H21NO4S2/c25-29(26,20-11-9-16-4-3-5-18(16)14-20)21-12-10-19(17-7-8-17)15-22(21)30(27,28)23-6-1-2-13-24-23/h1-2,6,9-15,17H,3-5,7-8H2
InChIKeyKMMWYVZCTBRMOB-UHFFFAOYSA-N
XLogP4.11
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine
CID 70998577
N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 10482191
2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine
CID 10026441
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
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801242
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
2-cyclohexylsulfonylpyridine
CID 22764697
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine?
The IUPAC name of 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine (CID 70998589) is 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine.
What is the SMILES notation for 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine?
The canonical SMILES for 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine is O=S(=O)(c1ccc2c(c1)CCC2)c1ccc(C2CC2)cc1S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine?
The InChIKey is KMMWYVZCTBRMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S2/c25-29(26,20-11-9-16-4-3-5-18(16)14-20)21-12-10-19(17-7-8-17)15-22(21)30(27,28)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]sulfonylpyridine?
2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine has a molecular weight of 439.56 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine is sourced from PubChem (CID 70998589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).