N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

C20H19N3O3S — CID 156602021

IUPACN-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESN#Cc1ccc(S(=O)(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)cc1
InChIInChI=1S/C20H19N3O3S/c21-12-14-6-8-17(9-7-14)27(25,26)23-13-15-10-18(19(23)11-15)22-20(24)16-4-2-1-3-5-16/h1-9,15,18-19H,10-11,13H2,(H,22,24)
InChIKeyUCCMDIZSFNVNML-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (PubChem CID 156602021) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
PubChem CID156602021
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESN#Cc1ccc(S(=O)(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)cc1
InChIInChI=1S/C20H19N3O3S/c21-12-14-6-8-17(9-7-14)27(25,26)23-13-15-10-18(19(23)11-15)22-20(24)16-4-2-1-3-5-16/h1-9,15,18-19H,10-11,13H2,(H,22,24)
InChIKeyUCCMDIZSFNVNML-UHFFFAOYSA-N
XLogP2.14
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 87052672
N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052706
N-(4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18266563
(2S,4R)-1-(4-cyanophenyl)sulfonyl-4-fluoropyrrolidine-2-carboxylic acid
CID 118008304
N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
CID 87052760
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184790
4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
CID 75251376
4-cyano-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]benzamide
CID 90404515
N-[(1R,4R,6S)-2-(3-chloro-4-methoxyphenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
CID 87052765
N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602098
6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601976

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The IUPAC name of N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (CID 156602021) is N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The canonical SMILES for N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is N#Cc1ccc(S(=O)(=O)N2CC3CC(NC(=O)c4ccccc4)C2C3)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The InChIKey is UCCMDIZSFNVNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c21-12-14-6-8-17(9-7-14)27(25,26)23-13-15-10-18(19(23)11-15)22-20(24)16-4-2-1-3-5-16/h1-9,15,18-19H,10-11,13H2,(H,22,24).
What are the key properties of N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is sourced from PubChem (CID 156602021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).