N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide

C18H19NO3S — CID 112838618

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H19NO3S/c1-2-18(20)15-7-4-8-17(12-15)23(21,22)19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12,19H,2-3,5-6H2,1H3
InChIKeyQTBPNQBRZPAFBJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.57
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide

N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide (PubChem CID 112838618) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
PubChem CID112838618
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H19NO3S/c1-2-18(20)15-7-4-8-17(12-15)23(21,22)19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12,19H,2-3,5-6H2,1H3
InChIKeyQTBPNQBRZPAFBJ-UHFFFAOYSA-N
XLogP3.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 112838614
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
3-acetyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 110729158
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7536863
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
3-propanoylbenzenesulfonic acid
CID 148597255

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide (CID 112838618) is N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is QTBPNQBRZPAFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-2-18(20)15-7-4-8-17(12-15)23(21,22)19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12,19H,2-3,5-6H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 112838618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).