N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide

C18H25NO3S — CID 124741486

IUPACN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1
InChIInChI=1S/C18H25NO3S/c1-13(20)14-7-10-18(11-8-14)23(21,22)19-17-9-6-15-4-2-3-5-16(15)12-17/h7-8,10-11,15-17,19H,2-6,9,12H2,1H3/t15-,16+,17-/m1/s1
InChIKeyWISPGNNKZLVBNH-IXDOHACOSA-N
MW335.47 g/mol
LogP3.53
Rot. Bonds4

About N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide

N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide (PubChem CID 124741486) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
PubChem CID124741486
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC NameN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1
InChIInChI=1S/C18H25NO3S/c1-13(20)14-7-10-18(11-8-14)23(21,22)19-17-9-6-15-4-2-3-5-16(15)12-17/h7-8,10-11,15-17,19H,2-6,9,12H2,1H3/t15-,16+,17-/m1/s1
InChIKeyWISPGNNKZLVBNH-IXDOHACOSA-N
XLogP3.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide with MolForge

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Related Compounds

4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
CID 95318002
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-acetyl-2,3-dihydroindole-5-sulfonamide
CID 17487399
4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
CID 106444263
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide?
The IUPAC name of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide (CID 124741486) is N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide.
What is the SMILES notation for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide?
The canonical SMILES for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1.
What is the InChIKey of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide?
The InChIKey is WISPGNNKZLVBNH-IXDOHACOSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-13(20)14-7-10-18(11-8-14)23(21,22)19-17-9-6-15-4-2-3-5-16(15)12-17/h7-8,10-11,15-17,19H,2-6,9,12H2,1H3/t15-,16+,17-/m1/s1.
What are the key properties of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide?
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide is sourced from PubChem (CID 124741486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).