N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide

C27H34N2O4S — CID 58497740

IUPACN-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide
SMILESCC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C27H34N2O4S/c1-26(2)24-17-21-22(10-7-11-23(21)30)27(26,3)14-15-29(24)25(31)18-12-13-19(16-18)28-34(32,33)20-8-5-4-6-9-20/h4-11,18-19,24,28,30H,12-17H2,1-3H3/t18-,19-,24-,27+/m1/s1
InChIKeyRQWVKBRWYPLGMJ-HODYICPISA-N
MW482.65 g/mol
LogP3.98
Rot. Bonds4

About N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide

N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide (PubChem CID 58497740) has the molecular formula C27H34N2O4S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide
PubChem CID58497740
Molecular FormulaC27H34N2O4S
Molecular Weight482.65 g/mol
Exact Mass482.22
IUPAC NameN-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide
SMILESCC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C27H34N2O4S/c1-26(2)24-17-21-22(10-7-11-23(21)30)27(26,3)14-15-29(24)25(31)18-12-13-19(16-18)28-34(32,33)20-8-5-4-6-9-20/h4-11,18-19,24,28,30H,12-17H2,1-3H3/t18-,19-,24-,27+/m1/s1
InChIKeyRQWVKBRWYPLGMJ-HODYICPISA-N
XLogP3.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide?
The IUPAC name of N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide (CID 58497740) is N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide is CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide?
The InChIKey is RQWVKBRWYPLGMJ-HODYICPISA-N. The full InChI is InChI=1S/C27H34N2O4S/c1-26(2)24-17-21-22(10-7-11-23(21)30)27(26,3)14-15-29(24)25(31)18-12-13-19(16-18)28-34(32,33)20-8-5-4-6-9-20/h4-11,18-19,24,28,30H,12-17H2,1-3H3/t18-,19-,24-,27+/m1/s1.
What are the key properties of N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide?
N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide has a molecular weight of 482.65 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 58497740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).