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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Related Compounds

8-fluoro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156102
8-chloro-3-methyl-4-(2-methyl-4-pyridinyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156406
8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 144861924
3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane
CID 144861903
3-(8-chloro-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)-N-methylbenzenesulfonamide
CID 118156227
8-chloro-4-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3-methyl-1,5-dihydropyrido[3,2-b]indol-2-one;ethane
CID 144861946
8-chloro-4-phenyl-3-piperazin-1-yl-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156193
3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118140094
2,5-dimethyl-3-(3-methylsulfonylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 151223265
ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 144861937
6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
CID 10947217
6-chloro-3-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1H-quinolin-2-one
CID 118677166

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).