11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine

C34H34N8O4S2 — CID 158291013

IUPAC11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3c2ncc2nc(C4CCCCC4)cn23)cc1.Cc1ccc(S(=O)(=O)n2ccc3nc(N)cnc32)cc1
InChIInChI=1S/C21H22N4O2S.C13H12N4O2S/c1-15-7-9-17(10-8-15)28(26,27)25-12-11-19-21(25)22-13-20-23-18(14-24(19)20)16-5-3-2-4-6-16;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h7-14,16H,2-6H2,1H3;2-8H,1H3,(H2,14,16)
InChIKeyGLISXZIQQTXFLT-UHFFFAOYSA-N
MW682.83 g/mol
LogP5.84
Rot. Bonds5

About 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine

11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine (PubChem CID 158291013) has the molecular formula C34H34N8O4S2 and a molecular weight of 682.83 g/mol. Its IUPAC name is 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine.

Molecular Properties

Compound Name11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine
PubChem CID158291013
Molecular FormulaC34H34N8O4S2
Molecular Weight682.83 g/mol
Exact Mass682.21
IUPAC Name11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3c2ncc2nc(C4CCCCC4)cn23)cc1.Cc1ccc(S(=O)(=O)n2ccc3nc(N)cnc32)cc1
InChIInChI=1S/C21H22N4O2S.C13H12N4O2S/c1-15-7-9-17(10-8-15)28(26,27)25-12-11-19-21(25)22-13-20-23-18(14-24(19)20)16-5-3-2-4-6-16;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h7-14,16H,2-6H2,1H3;2-8H,1H3,(H2,14,16)
InChIKeyGLISXZIQQTXFLT-UHFFFAOYSA-N
XLogP5.84
TPSA160.13 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500682.83
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936958
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937066
N-[4-[(1R,5S)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenyl-butyl]benzenesulfonamide
CID 50943793
N-(5-(Imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936737
N-(5-(3-cyanoimidazo(1,2-a)pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936848
N-(5-(3-(3-Cyanophenyl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936961
N-(5-(3-(Pyridin-3-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936962
N-(5-(3-(Pyridin-4-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52937061
3-[1-(Benzenesulfonyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395300
1-(Benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 126720436
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzenesulfonamide
CID 695162
N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)benzenesulfonamide
CID 983525

Frequently Asked Questions

What is the IUPAC name of 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine?
The IUPAC name of 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine (CID 158291013) is 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine.
What is the SMILES notation for 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine?
The canonical SMILES for 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine is Cc1ccc(S(=O)(=O)n2ccc3c2ncc2nc(C4CCCCC4)cn23)cc1.Cc1ccc(S(=O)(=O)n2ccc3nc(N)cnc32)cc1.
What is the InChIKey of 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine?
The InChIKey is GLISXZIQQTXFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S.C13H12N4O2S/c1-15-7-9-17(10-8-15)28(26,27)25-12-11-19-21(25)22-13-20-23-18(14-24(19)20)16-5-3-2-4-6-16;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h7-14,16H,2-6H2,1H3;2-8H,1H3,(H2,14,16).
What are the key properties of 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine?
11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine has a molecular weight of 682.83 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexyl-5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-amine is sourced from PubChem (CID 158291013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).