4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one

C20H18N2O3S — CID 102516278

IUPAC4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3c4ccccc4n(C)c3c2=O)cc1
InChIInChI=1S/C20H18N2O3S/c1-13-8-10-15(11-9-13)26(24,25)22-12-14(2)18-16-6-4-5-7-17(16)21(3)19(18)20(22)23/h4-12H,1-3H3
InChIKeyBHTMQUNQZXWOSB-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.35
Rot. Bonds2

About 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one

4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one (PubChem CID 102516278) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one
PubChem CID102516278
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3c4ccccc4n(C)c3c2=O)cc1
InChIInChI=1S/C20H18N2O3S/c1-13-8-10-15(11-9-13)26(24,25)22-12-14(2)18-16-6-4-5-7-17(16)21(3)19(18)20(22)23/h4-12H,1-3H3
InChIKeyBHTMQUNQZXWOSB-UHFFFAOYSA-N
XLogP3.35
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
3-iodo-7-methyl-1-(4-methylphenyl)sulfonylindole
CID 118449865
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
5,12-dimethyl-7-(4-methylphenyl)indolo[3,2-a]carbazole
CID 162402287
3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene
CID 132577078
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole
CID 134957407
1-(4-methylphenyl)sulfonyl-3-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]indole
CID 66852552
1-(4-methylphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69186511
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one?
The IUPAC name of 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one (CID 102516278) is 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one.
What is the SMILES notation for 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one?
The canonical SMILES for 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one is Cc1ccc(S(=O)(=O)n2cc(C)c3c4ccccc4n(C)c3c2=O)cc1.
What is the InChIKey of 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one?
The InChIKey is BHTMQUNQZXWOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-8-10-15(11-9-13)26(24,25)22-12-14(2)18-16-6-4-5-7-17(16)21(3)19(18)20(22)23/h4-12H,1-3H3.
What are the key properties of 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one?
4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one has a molecular weight of 366.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one is sourced from PubChem (CID 102516278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).