4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole

C18H18N2O2S — CID 134957407

IUPAC4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole
SMILESCc1ccc(S(=O)(=O)N2CCc3c2n(C)c2ccccc32)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-7-9-14(10-8-13)23(21,22)20-12-11-16-15-5-3-4-6-17(15)19(2)18(16)20/h3-10H,11-12H2,1-2H3
InChIKeyHUGDGINTAOMXHL-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.24
Rot. Bonds2

About 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole

4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole (PubChem CID 134957407) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole
PubChem CID134957407
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole
SMILESCc1ccc(S(=O)(=O)N2CCc3c2n(C)c2ccccc32)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-7-9-14(10-8-13)23(21,22)20-12-11-16-15-5-3-4-6-17(15)19(2)18(16)20/h3-10H,11-12H2,1-2H3
InChIKeyHUGDGINTAOMXHL-UHFFFAOYSA-N
XLogP3.24
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4,10-dimethyl-2,5-dihydroazepino[2,3-b]indole
CID 132608563
(12bR)-12-(4-methylphenyl)sulfonyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-2-one
CID 11418003
4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
CID 138982150
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
1-(4-methylphenyl)sulfonyl-2-propan-2-ylideneazetidine
CID 101424960
4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one
CID 102516278
3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008
1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
CID 55755455
(NE)-N-[2-benzhydrylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]hydroxylamine
CID 139095900
4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole
CID 3692587

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole?
The IUPAC name of 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole (CID 134957407) is 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole is Cc1ccc(S(=O)(=O)N2CCc3c2n(C)c2ccccc32)cc1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole?
The InChIKey is HUGDGINTAOMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-7-9-14(10-8-13)23(21,22)20-12-11-16-15-5-3-4-6-17(15)19(2)18(16)20/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole?
4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole has a molecular weight of 326.42 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole is sourced from PubChem (CID 134957407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).