2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

C26H33N5O2S — CID 123490305

IUPAC2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(C2=CC=CN3CCCC(C)=C23)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1
InChIInChI=1S/C26H33N5O2S/c1-3-20-15-21(24-10-6-14-30-13-5-7-19(2)26(24)30)11-12-25(20)34(32,33)29-22-8-4-9-23(16-22)31-17-27-28-18-31/h6,10-12,14-15,17-18,22-23,29H,3-5,7-9,13,16H2,1-2H3
InChIKeyHRPAYABKSDVLKX-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.58
Rot. Bonds6

About 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 123490305) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID123490305
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC Name2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(C2=CC=CN3CCCC(C)=C23)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1
InChIInChI=1S/C26H33N5O2S/c1-3-20-15-21(24-10-6-14-30-13-5-7-19(2)26(24)30)11-12-25(20)34(32,33)29-22-8-4-9-23(16-22)31-17-27-28-18-31/h6,10-12,14-15,17-18,22-23,29H,3-5,7-9,13,16H2,1-2H3
InChIKeyHRPAYABKSDVLKX-UHFFFAOYSA-N
XLogP4.58
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77301857
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 67491184
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzenesulfonamide
CID 66895635
2-ethyl-4-(4-methylpyrazol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 67491155
2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77164618
2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310848
4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 67491038
2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643800
4-ethyl-3-phenyl-N-[(1S,3S)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643822
3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310882
4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310726
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide
CID 67491980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 123490305) is 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is CCc1cc(C2=CC=CN3CCCC(C)=C23)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1.
What is the InChIKey of 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is HRPAYABKSDVLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2S/c1-3-20-15-21(24-10-6-14-30-13-5-7-19(2)26(24)30)11-12-25(20)34(32,33)29-22-8-4-9-23(16-22)31-17-27-28-18-31/h6,10-12,14-15,17-18,22-23,29H,3-5,7-9,13,16H2,1-2H3.
What are the key properties of 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 479.65 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 123490305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).