5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one

C18H17ClN2O3S — CID 126795705

IUPAC5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCc4c(Cl)cccc43)cc21
InChIInChI=1S/C18H17ClN2O3S/c1-18(2)13-10-11(6-7-15(13)20-17(18)22)25(23,24)21-9-8-12-14(19)4-3-5-16(12)21/h3-7,10H,8-9H2,1-2H3,(H,20,22)
InChIKeyRLGDYKPLQWSBJI-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.32
Rot. Bonds2

About 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one

5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 126795705) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID126795705
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCc4c(Cl)cccc43)cc21
InChIInChI=1S/C18H17ClN2O3S/c1-18(2)13-10-11(6-7-15(13)20-17(18)22)25(23,24)21-9-8-12-14(19)4-3-5-16(12)21/h3-7,10H,8-9H2,1-2H3,(H,20,22)
InChIKeyRLGDYKPLQWSBJI-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 21071905
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126793094
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 20921795
1-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 110675383
5-[(7,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 75439608
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 56730285
5-[[9-[(dimethylamino)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl]sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 91920164
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921822
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole
CID 139271456
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
5-[3-(diethylaminomethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-1H-indol-2-one
CID 126788330

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one (CID 126795705) is 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCc4c(Cl)cccc43)cc21.
What is the InChIKey of 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is RLGDYKPLQWSBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-18(2)13-10-11(6-7-15(13)20-17(18)22)25(23,24)21-9-8-12-14(19)4-3-5-16(12)21/h3-7,10H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one?
5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 376.87 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 126795705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).