N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

C19H22N2O4S2 — CID 60534198

IUPACN-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22N2O4S2/c1-26(22,23)20-18-8-3-9-19-17(18)7-4-12-21(19)27(24,25)16-11-10-14-5-2-6-15(14)13-16/h3,8-11,13,20H,2,4-7,12H2,1H3
InChIKeyWBTILZCVJAWMSY-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.69
Rot. Bonds4

About N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (PubChem CID 60534198) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
PubChem CID60534198
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22N2O4S2/c1-26(22,23)20-18-8-3-9-19-17(18)7-4-12-21(19)27(24,25)16-11-10-14-5-2-6-15(14)13-16/h3,8-11,13,20H,2,4-7,12H2,1H3
InChIKeyWBTILZCVJAWMSY-UHFFFAOYSA-N
XLogP2.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 167956524
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
N-[2-(methanesulfonamido)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 35368490
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
CID 110636873
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
3,4-difluoro-N-[1-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 175293375
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9257998
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110639268
1-(3-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291985
1-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)sulfonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 132972608

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (CID 60534198) is N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The InChIKey is WBTILZCVJAWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-26(22,23)20-18-8-3-9-19-17(18)7-4-12-21(19)27(24,25)16-11-10-14-5-2-6-15(14)13-16/h3,8-11,13,20H,2,4-7,12H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is sourced from PubChem (CID 60534198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).