N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide

C21H29N3O2S — CID 10221830

IUPACN-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C21H29N3O2S/c1-2-27(25,26)24-20-12-16(15-7-4-3-5-8-15)11-19-17(20)9-6-10-18(19)21-13-22-14-23-21/h11-15,18,24H,2-10H2,1H3,(H,22,23)
InChIKeyQFSWDHAWKWSHQS-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.69
Rot. Bonds5

About N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide

N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide (PubChem CID 10221830) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
PubChem CID10221830
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C21H29N3O2S/c1-2-27(25,26)24-20-12-16(15-7-4-3-5-8-15)11-19-17(20)9-6-10-18(19)21-13-22-14-23-21/h11-15,18,24H,2-10H2,1H3,(H,22,23)
InChIKeyQFSWDHAWKWSHQS-UHFFFAOYSA-N
XLogP4.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The IUPAC name of N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide (CID 10221830) is N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The canonical SMILES for N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1cnc[nH]1.
What is the InChIKey of N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The InChIKey is QFSWDHAWKWSHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-2-27(25,26)24-20-12-16(15-7-4-3-5-8-15)11-19-17(20)9-6-10-18(19)21-13-22-14-23-21/h11-15,18,24H,2-10H2,1H3,(H,22,23).
What are the key properties of N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide is sourced from PubChem (CID 10221830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).