5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C22H25N3O3S — CID 156602227

IUPAC5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)N1CC2CC1CC2NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3S/c26-22(23-18-10-9-15-5-4-6-16(15)11-18)25-14-17-12-19(25)13-21(17)24-29(27,28)20-7-2-1-3-8-20/h1-3,7-11,17,19,21,24H,4-6,12-14H2,(H,23,26)
InChIKeyXCNUZKMLZGNPJH-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.15
Rot. Bonds4

About 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156602227) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156602227
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)N1CC2CC1CC2NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H25N3O3S/c26-22(23-18-10-9-15-5-4-6-16(15)11-18)25-14-17-12-19(25)13-21(17)24-29(27,28)20-7-2-1-3-8-20/h1-3,7-11,17,19,21,24H,4-6,12-14H2,(H,23,26)
InChIKeyXCNUZKMLZGNPJH-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfonamido)-N-(3,5-dimethoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602209
5-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602241
N-[(1S,4S,5S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 87052876
N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 156602194
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9493979
(2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9493976
5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156609917
N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394
(2S)-1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185659
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824648
cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 167750721

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156602227) is 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc2c(c1)CCC2)N1CC2CC1CC2NS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XCNUZKMLZGNPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c26-22(23-18-10-9-15-5-4-6-16(15)11-18)25-14-17-12-19(25)13-21(17)24-29(27,28)20-7-2-1-3-8-20/h1-3,7-11,17,19,21,24H,4-6,12-14H2,(H,23,26).
What are the key properties of 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-(2,3-dihydro-1H-inden-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156602227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).