8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one

C19H15ClN2O3S — CID 123416407

IUPAC8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1c(-c2cccc(S(C)(=O)=O)c2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O
InChIInChI=1S/C19H15ClN2O3S/c1-10-16(11-4-3-5-13(8-11)26(2,24)25)18-17(22-19(10)23)14-9-12(20)6-7-15(14)21-18/h3-9,21H,1-2H3,(H,22,23)
InChIKeyNDYWJGQHLOBKKQ-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.04
Rot. Bonds2

About 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one

8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one (PubChem CID 123416407) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one.

Molecular Properties

Compound Name8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
PubChem CID123416407
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1c(-c2cccc(S(C)(=O)=O)c2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O
InChIInChI=1S/C19H15ClN2O3S/c1-10-16(11-4-3-5-13(8-11)26(2,24)25)18-17(22-19(10)23)14-9-12(20)6-7-15(14)21-18/h3-9,21H,1-2H3,(H,22,23)
InChIKeyNDYWJGQHLOBKKQ-UHFFFAOYSA-N
XLogP4.04
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The IUPAC name of 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one (CID 123416407) is 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one.
What is the SMILES notation for 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The canonical SMILES for 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one is Cc1c(-c2cccc(S(C)(=O)=O)c2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O.
What is the InChIKey of 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The InChIKey is NDYWJGQHLOBKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-10-16(11-4-3-5-13(8-11)26(2,24)25)18-17(22-19(10)23)14-9-12(20)6-7-15(14)21-18/h3-9,21H,1-2H3,(H,22,23).
What are the key properties of 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one has a molecular weight of 386.86 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one is sourced from PubChem (CID 123416407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).