N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide

C15H19NO5S2 — CID 71890926

IUPACN-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C15H19NO5S2/c1-22(18,19)12-3-2-4-13(9-12)23(20,21)16-15(17)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H,16,17)
InChIKeyOJZUPDRDUYKPMB-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.33
Rot. Bonds4

About N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide

N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71890926) has the molecular formula C15H19NO5S2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71890926
Molecular FormulaC15H19NO5S2
Molecular Weight357.45 g/mol
Exact Mass357.07
IUPAC NameN-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C15H19NO5S2/c1-22(18,19)12-3-2-4-13(9-12)23(20,21)16-15(17)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H,16,17)
InChIKeyOJZUPDRDUYKPMB-UHFFFAOYSA-N
XLogP1.33
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
CID 95161414
trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
CID 95589094
N-(3-hydroxy-2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64793995
N-methylsulfonylbicyclo[2.2.2]octane-2-carboxamide
CID 136544976
(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124824450
(1S,2S,4S)-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750484
(1S,2S,4S)-N-(2-methyl-5-sulfamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079751
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide
CID 144672810
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
CID 100619770

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide (CID 71890926) is N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide is CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)C2CC3CCC2C3)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OJZUPDRDUYKPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S2/c1-22(18,19)12-3-2-4-13(9-12)23(20,21)16-15(17)14-8-10-5-6-11(14)7-10/h2-4,9-11,14H,5-8H2,1H3,(H,16,17).
What are the key properties of N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide?
N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71890926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).