N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide

C16H20ClN3O3S — CID 5282210

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IUPACN-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)ccc1Cl
InChIInChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10+,12-,13+
InChIKeyUHLOVGKIEARANS-NIFPGPBJSA-N
MW369.87 g/mol
LogP1.61
Rot. Bonds3

About N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide

N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide (PubChem CID 5282210) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide
PubChem CID5282210
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC NameN-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)ccc1Cl
InChIInChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10+,12-,13+
InChIKeyUHLOVGKIEARANS-NIFPGPBJSA-N
XLogP1.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide?
The IUPAC name of N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide (CID 5282210) is N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide.
What is the SMILES notation for N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide?
The canonical SMILES for N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)ccc1Cl.
What is the InChIKey of N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide?
The InChIKey is UHLOVGKIEARANS-NIFPGPBJSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10+,12-,13+.
What are the key properties of N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide?
N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide has a molecular weight of 369.87 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide is sourced from PubChem (CID 5282210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).