N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

C24H24N2O6S3 — CID 10482191

IUPACN-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2cc(S(=O)(=O)c3ccc(C4CC4)cc3S(=O)(=O)c3ccccn3)ccc21
InChIInChI=1S/C24H24N2O6S3/c1-33(27,28)26-21-11-7-18-14-19(9-10-20(18)21)34(29,30)22-12-8-17(16-5-6-16)15-23(22)35(31,32)24-4-2-3-13-25-24/h2-4,8-10,12-16,21,26H,5-7,11H2,1H3
InChIKeyVBYFCYCISANSGO-UHFFFAOYSA-N
MW532.67 g/mol
LogP3.16
Rot. Bonds7

About N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (PubChem CID 10482191) has the molecular formula C24H24N2O6S3 and a molecular weight of 532.67 g/mol. Its IUPAC name is N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
PubChem CID10482191
Molecular FormulaC24H24N2O6S3
Molecular Weight532.67 g/mol
Exact Mass532.08
IUPAC NameN-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2cc(S(=O)(=O)c3ccc(C4CC4)cc3S(=O)(=O)c3ccccn3)ccc21
InChIInChI=1S/C24H24N2O6S3/c1-33(27,28)26-21-11-7-18-14-19(9-10-20(18)21)34(29,30)22-12-8-17(16-5-6-16)15-23(22)35(31,32)24-4-2-3-13-25-24/h2-4,8-10,12-16,21,26H,5-7,11H2,1H3
InChIKeyVBYFCYCISANSGO-UHFFFAOYSA-N
XLogP3.16
TPSA127.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.67
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfonylpyridine
CID 70998589
N-[[4-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonylphenyl]methyl]hexan-3-amine;ethene;molecular hydrogen
CID 142805296
2-[5-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfonyl)phenyl]sulfanylpyridine
CID 70998577
1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 162569191
2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridine
CID 10026441
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 165486716
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene
CID 58929230

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The IUPAC name of N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (CID 10482191) is N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The canonical SMILES for N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is CS(=O)(=O)NC1CCc2cc(S(=O)(=O)c3ccc(C4CC4)cc3S(=O)(=O)c3ccccn3)ccc21.
What is the InChIKey of N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The InChIKey is VBYFCYCISANSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S3/c1-33(27,28)26-21-11-7-18-14-19(9-10-20(18)21)34(29,30)22-12-8-17(16-5-6-16)15-23(22)35(31,32)24-4-2-3-13-25-24/h2-4,8-10,12-16,21,26H,5-7,11H2,1H3.
What are the key properties of N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide has a molecular weight of 532.67 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclopropyl-2-pyridin-2-ylsulfonylphenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is sourced from PubChem (CID 10482191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).