8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene

C25H27NO4S — CID 135018064

IUPAC8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene
SMILESCc1ccc(S(=O)(=O)n2ccc3c(C)c(C)c4c(c32)C2CC4C3OC(C)(C)OC23)cc1
InChIInChI=1S/C25H27NO4S/c1-13-6-8-16(9-7-13)31(27,28)26-11-10-17-14(2)15(3)20-18-12-19(21(20)22(17)26)24-23(18)29-25(4,5)30-24/h6-11,18-19,23-24H,12H2,1-5H3
InChIKeyLUEJIAZIECDTRU-UHFFFAOYSA-N
MW437.56 g/mol
LogP4.91
Rot. Bonds2

About 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene

8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene (PubChem CID 135018064) has the molecular formula C25H27NO4S and a molecular weight of 437.56 g/mol. Its IUPAC name is 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene
PubChem CID135018064
Molecular FormulaC25H27NO4S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC Name8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene
SMILESCc1ccc(S(=O)(=O)n2ccc3c(C)c(C)c4c(c32)C2CC4C3OC(C)(C)OC23)cc1
InChIInChI=1S/C25H27NO4S/c1-13-6-8-16(9-7-13)31(27,28)26-11-10-17-14(2)15(3)20-18-12-19(21(20)22(17)26)24-23(18)29-25(4,5)30-24/h6-11,18-19,23-24H,12H2,1-5H3
InChIKeyLUEJIAZIECDTRU-UHFFFAOYSA-N
XLogP4.91
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-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

[12,13-dihydroxy-4-(4-methylphenyl)sulfonyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraen-9-yl] trifluoromethanesulfonate
CID 72968094
6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
CID 86721062
7-isocyano-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 166042030
methyl (1S,2S,6R,7S,9S)-4,4-dimethyl-8-(4-methylphenyl)sulfonyl-3,5-dioxa-8-azatricyclo[5.2.1.02,6]decane-9-carboxylate
CID 10861848
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
6-fluoro-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 151947464
(1R,3R,5S,7S)-1,7-dimethyl-8-(4-methylphenyl)sulfonyl-4-oxa-8-azatricyclo[5.1.0.03,5]octane
CID 11522162
trans-(1R,2R)-2-[1-(4-methylphenyl)sulfonylindol-7-yl]cyclopropane-1-carboxylic acid
CID 146460863
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole;5,7-difluoro-1-(4-methylphenyl)sulfonylindole
CID 158503491
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol
CID 23518915

Frequently Asked Questions

What is the IUPAC name of 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene (CID 135018064) is 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene is Cc1ccc(S(=O)(=O)n2ccc3c(C)c(C)c4c(c32)C2CC4C3OC(C)(C)OC23)cc1.
What is the InChIKey of 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene?
The InChIKey is LUEJIAZIECDTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4S/c1-13-6-8-16(9-7-13)31(27,28)26-11-10-17-14(2)15(3)20-18-12-19(21(20)22(17)26)24-23(18)29-25(4,5)30-24/h6-11,18-19,23-24H,12H2,1-5H3.
What are the key properties of 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene?
8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene has a molecular weight of 437.56 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,14,14-tetramethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 135018064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).