6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one

C18H15ClN2O3S — CID 101146741

IUPAC6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)c3c([nH]c4ccc(Cl)cc34)C2)cc1
InChIInChI=1S/C18H15ClN2O3S/c1-11-2-5-13(6-3-11)25(23,24)21-9-16-18(17(22)10-21)14-8-12(19)4-7-15(14)20-16/h2-8,20H,9-10H2,1H3
InChIKeyCFBWMFRUJUHGFV-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.52
Rot. Bonds2

About 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one

6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one (PubChem CID 101146741) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one
PubChem CID101146741
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)c3c([nH]c4ccc(Cl)cc34)C2)cc1
InChIInChI=1S/C18H15ClN2O3S/c1-11-2-5-13(6-3-11)25(23,24)21-9-16-18(17(22)10-21)14-8-12(19)4-7-15(14)20-16/h2-8,20H,9-10H2,1H3
InChIKeyCFBWMFRUJUHGFV-UHFFFAOYSA-N
XLogP3.52
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
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17-methyl-10-(2-nitrophenyl)sulfonyl-10,13-diazatetracyclo[10.7.0.02,7.014,19]nonadeca-1(12),2,4,6,14(19),15,17-heptaene
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one?
The IUPAC name of 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one (CID 101146741) is 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one.
What is the SMILES notation for 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one?
The canonical SMILES for 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one is Cc1ccc(S(=O)(=O)N2CC(=O)c3c([nH]c4ccc(Cl)cc34)C2)cc1.
What is the InChIKey of 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one?
The InChIKey is CFBWMFRUJUHGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-11-2-5-13(6-3-11)25(23,24)21-9-16-18(17(22)10-21)14-8-12(19)4-7-15(14)20-16/h2-8,20H,9-10H2,1H3.
What are the key properties of 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one?
6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one has a molecular weight of 374.85 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylphenyl)sulfonyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one is sourced from PubChem (CID 101146741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).