1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide

C24H19F3N2O4S2 — CID 168878096

IUPAC1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide
SMILESCc1ccc(S(=O)(=O)N2c3[nH]c4ccccc4c3C(c3ccc(C(F)(F)F)cc3)CS2(=O)=O)cc1
InChIInChI=1S/C24H19F3N2O4S2/c1-15-6-12-18(13-7-15)35(32,33)29-23-22(19-4-2-3-5-21(19)28-23)20(14-34(29,30)31)16-8-10-17(11-9-16)24(25,26)27/h2-13,20,28H,14H2,1H3
InChIKeyGOMWOYVXFXOVGX-UHFFFAOYSA-N
MW520.55 g/mol
LogP5.17
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide

1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide (PubChem CID 168878096) has the molecular formula C24H19F3N2O4S2 and a molecular weight of 520.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide
PubChem CID168878096
Molecular FormulaC24H19F3N2O4S2
Molecular Weight520.55 g/mol
Exact Mass520.07
IUPAC Name1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide
SMILESCc1ccc(S(=O)(=O)N2c3[nH]c4ccccc4c3C(c3ccc(C(F)(F)F)cc3)CS2(=O)=O)cc1
InChIInChI=1S/C24H19F3N2O4S2/c1-15-6-12-18(13-7-15)35(32,33)29-23-22(19-4-2-3-5-21(19)28-23)20(14-34(29,30)31)16-8-10-17(11-9-16)24(25,26)27/h2-13,20,28H,14H2,1H3
InChIKeyGOMWOYVXFXOVGX-UHFFFAOYSA-N
XLogP5.17
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide 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

1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide
CID 168878079
5-fluoro-1-(4-methylphenyl)sulfonyl-4-phenyl-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide
CID 168878098
(2R,3R,4S)-4-(4-chlorophenyl)-3-methyl-1-(4-methylphenyl)sulfonyl-2,3,4,9-tetrahydropyrido[2,3-b]indol-2-ol
CID 166444043
(2R,3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-naphthalen-2-yl-2,3,4,9-tetrahydropyrido[2,3-b]indol-2-ol
CID 166444039
1-methyl-2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]diaziridine
CID 162400134
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
(2R,3R,4R)-3-methyl-1-(4-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3,4,9-tetrahydropyrido[2,3-b]indol-2-ol
CID 166444040
1-(2-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 71535777
2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 24602976
(1S,3R)-1-ethenyl-2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindole
CID 53356256
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
(1E)-1-[1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]azetidin-2-ylidene]propan-2-one
CID 134934633

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide (CID 168878096) is 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide is Cc1ccc(S(=O)(=O)N2c3[nH]c4ccccc4c3C(c3ccc(C(F)(F)F)cc3)CS2(=O)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide?
The InChIKey is GOMWOYVXFXOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O4S2/c1-15-6-12-18(13-7-15)35(32,33)29-23-22(19-4-2-3-5-21(19)28-23)20(14-34(29,30)31)16-8-10-17(11-9-16)24(25,26)27/h2-13,20,28H,14H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide?
1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide has a molecular weight of 520.55 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide is sourced from PubChem (CID 168878096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).