5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide

C14H20ClN3O2S — CID 124729783

IUPAC5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1Cl
InChIInChI=1S/C14H20ClN3O2S/c1-18-7-16-14(13(18)15)21(19,20)17-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,17H,2-6H2,1H3/t8-,9-,10-,11+,12-/m1/s1
InChIKeyGTDSBBAQLNOQRR-PZWNZHSQSA-N
MW329.85 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide (PubChem CID 124729783) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide
PubChem CID124729783
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1Cl
InChIInChI=1S/C14H20ClN3O2S/c1-18-7-16-14(13(18)15)21(19,20)17-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,17H,2-6H2,1H3/t8-,9-,10-,11+,12-/m1/s1
InChIKeyGTDSBBAQLNOQRR-PZWNZHSQSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide (CID 124729783) is 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide?
The InChIKey is GTDSBBAQLNOQRR-PZWNZHSQSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-18-7-16-14(13(18)15)21(19,20)17-12-6-8-5-11(12)10-4-2-3-9(8)10/h7-12,17H,2-6H2,1H3/t8-,9-,10-,11+,12-/m1/s1.
What are the key properties of 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide has a molecular weight of 329.85 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]imidazole-4-sulfonamide is sourced from PubChem (CID 124729783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).