11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene

C20H21N3O2S — CID 53327973

IUPAC11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
SMILESCc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNCC1C2
InChIInChI=1S/C20H21N3O2S/c1-14-5-2-3-8-19(14)26(24,25)23-13-15-11-16-12-21-9-10-22(16)17-6-4-7-18(23)20(15)17/h2-8,13,16,21H,9-12H2,1H3
InChIKeyVXWKZRBIKLRWCS-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.52
Rot. Bonds2

About 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene

11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene (PubChem CID 53327973) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene.

Molecular Properties

Compound Name11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
PubChem CID53327973
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
SMILESCc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNCC1C2
InChIInChI=1S/C20H21N3O2S/c1-14-5-2-3-8-19(14)26(24,25)23-13-15-11-16-12-21-9-10-22(16)17-6-4-7-18(23)20(15)17/h2-8,13,16,21H,9-12H2,1H3
InChIKeyVXWKZRBIKLRWCS-UHFFFAOYSA-N
XLogP2.52
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene 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-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
3-(phenylsulfonyl)-1-(piperidin-3-yl)-1H-indole
CID 10042892
N-benzenesulfonylgramine antagonist, 8
CID 11723168
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574

Frequently Asked Questions

What is the IUPAC name of 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene?
The IUPAC name of 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene (CID 53327973) is 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene.
What is the SMILES notation for 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene?
The canonical SMILES for 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene is Cc1ccccc1S(=O)(=O)n1cc2c3c(cccc31)N1CCNCC1C2.
What is the InChIKey of 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene?
The InChIKey is VXWKZRBIKLRWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-5-2-3-8-19(14)26(24,25)23-13-15-11-16-12-21-9-10-22(16)17-6-4-7-18(23)20(15)17/h2-8,13,16,21H,9-12H2,1H3.
What are the key properties of 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene?
11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene has a molecular weight of 367.47 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene is sourced from PubChem (CID 53327973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).