N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

C14H17ClN2O3S — CID 156601680

IUPACN-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O3S/c1-21(19,20)16-13-7-12-6-10(13)8-17(12)14(18)9-3-2-4-11(15)5-9/h2-5,10,12-13,16H,6-8H2,1H3
InChIKeyVWYGFHQBRBMNEN-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.49
Rot. Bonds3

About N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (PubChem CID 156601680) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
PubChem CID156601680
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC NameN-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O3S/c1-21(19,20)16-13-7-12-6-10(13)8-17(12)14(18)9-3-2-4-11(15)5-9/h2-5,10,12-13,16H,6-8H2,1H3
InChIKeyVWYGFHQBRBMNEN-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chloro-benzoyl)-piperidine-4-carboxylic acid cyclopentylamide
CID 804274
(S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11300496
2-Chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-6-fluorobenzamide
CID 91910986
3,5-dichloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 40162781
2,5-dichloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 45888176
N-[[1-(4-chlorobenzoyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 49506198
N-[1-(4-chloro-2-fluorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079131
(3-chloro-4-fluorophenyl){4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}methanone
CID 53194200
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 53583661
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 53593622
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 53595572
1-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71977386

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The IUPAC name of N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (CID 156601680) is N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is CS(=O)(=O)NC1CC2CC1CN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The InChIKey is VWYGFHQBRBMNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-21(19,20)16-13-7-12-6-10(13)8-17(12)14(18)9-3-2-4-11(15)5-9/h2-5,10,12-13,16H,6-8H2,1H3.
What are the key properties of N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is sourced from PubChem (CID 156601680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).