(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C22H24N2O4S — CID 51949039

IUPAC(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C22H24N2O4S/c25-21-15-6-4-7-16(21)13-17(12-15)22(26)23-18-8-5-9-19(14-18)24-29(27,28)20-10-2-1-3-11-20/h1-3,5,8-11,14-17,24H,4,6-7,12-13H2,(H,23,26)/t15-,16+,17?
InChIKeyJHWAILJDNYVENH-SJPCQFCGSA-N
MW412.51 g/mol
LogP3.82
Rot. Bonds5

About (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 51949039) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID51949039
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C22H24N2O4S/c25-21-15-6-4-7-16(21)13-17(12-15)22(26)23-18-8-5-9-19(14-18)24-29(27,28)20-10-2-1-3-11-20/h1-3,5,8-11,14-17,24H,4,6-7,12-13H2,(H,23,26)/t15-,16+,17?
InChIKeyJHWAILJDNYVENH-SJPCQFCGSA-N
XLogP3.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56580607
N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43000554
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46465654
N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide
CID 60514684

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 51949039) is (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)C1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is JHWAILJDNYVENH-SJPCQFCGSA-N. The full InChI is InChI=1S/C22H24N2O4S/c25-21-15-6-4-7-16(21)13-17(12-15)22(26)23-18-8-5-9-19(14-18)24-29(27,28)20-10-2-1-3-11-20/h1-3,5,8-11,14-17,24H,4,6-7,12-13H2,(H,23,26)/t15-,16+,17?.
What are the key properties of (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 51949039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).