4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol

C17H19NO3S — CID 25259017

IUPAC4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol
SMILESCc1ccc(S(=O)(=O)N2Cc3c(C)cc(O)c(C)c3C2)cc1
InChIInChI=1S/C17H19NO3S/c1-11-4-6-14(7-5-11)22(20,21)18-9-15-12(2)8-17(19)13(3)16(15)10-18/h4-8,19H,9-10H2,1-3H3
InChIKeyFVIYGAARXVRVFV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.02
Rot. Bonds2

About 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol

4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol (PubChem CID 25259017) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol.

Molecular Properties

Compound Name4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol
PubChem CID25259017
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol
SMILESCc1ccc(S(=O)(=O)N2Cc3c(C)cc(O)c(C)c3C2)cc1
InChIInChI=1S/C17H19NO3S/c1-11-4-6-14(7-5-11)22(20,21)18-9-15-12(2)8-17(19)13(3)16(15)10-18/h4-8,19H,9-10H2,1-3H3
InChIKeyFVIYGAARXVRVFV-UHFFFAOYSA-N
XLogP3.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 11289669
8,24-dimethyl-5,21-bis-(4-methylphenyl)sulfonyl-5,21-diazanonacyclo[25.5.3.311,17.02,10.03,7.018,26.019,23.030,34.014,37]octatriaconta-1(33),2(10),3(7),8,11(38),12,14(37),15,17(36),18(26),19(23),24,27(35),28,30(34),31-hexadecaene
CID 134837848
13,27,41-trimethyl-10,24,38-tris-(4-methylphenyl)sulfonyl-10,24,38-triazadecacyclo[33.6.1.12,6.116,20.130,34.07,15.08,12.021,29.022,26.036,40]pentatetraconta-1(42),2(45),3,5,7(15),8(12),13,16(44),17,19,21(29),22(26),27,30(43),31,33,35,40-octadecaene
CID 134837852
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3,6,7,8,9-hexahydrobenzo[e]isoindole
CID 10811912
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol
CID 24756122
2-[4-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]ethanol
CID 101081797
7,8-dimethyl-2-(4-methylphenyl)sulfonyl-4,5-diphenyl-1,3-dihydrobenzo[e]isoindole
CID 138964199
(1Z,10E,19Z,28E)-8,26-dimethyl-5,23-bis-(4-methylphenyl)sulfonyl-12,30-dioxa-5,23-diazanonacyclo[27.7.0.02,10.03,7.011,19.013,18.020,28.021,25.031,36]hexatriaconta-1,3(7),8,10,13,15,17,19,21(25),26,28,31,33,35-tetradecaene
CID 177465145
5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 101418366

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol?
The IUPAC name of 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol (CID 25259017) is 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol.
What is the SMILES notation for 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol?
The canonical SMILES for 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol is Cc1ccc(S(=O)(=O)N2Cc3c(C)cc(O)c(C)c3C2)cc1.
What is the InChIKey of 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol?
The InChIKey is FVIYGAARXVRVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-11-4-6-14(7-5-11)22(20,21)18-9-15-12(2)8-17(19)13(3)16(15)10-18/h4-8,19H,9-10H2,1-3H3.
What are the key properties of 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol?
4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol has a molecular weight of 317.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-ol is sourced from PubChem (CID 25259017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).