1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C17H16ClN3O6S2 — CID 55681595

IUPAC1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C17H16ClN3O6S2/c1-9-4-10-5-11(28(19,23)24)2-3-14(10)21(9)29(25,26)16-7-15-13(6-12(16)18)20-17(22)8-27-15/h2-3,5-7,9H,4,8H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyBULBMKUYAKRYHO-UHFFFAOYSA-N
MW457.92 g/mol
LogP1.46
Rot. Bonds3

About 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55681595) has the molecular formula C17H16ClN3O6S2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55681595
Molecular FormulaC17H16ClN3O6S2
Molecular Weight457.92 g/mol
Exact Mass457.02
IUPAC Name1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C17H16ClN3O6S2/c1-9-4-10-5-11(28(19,23)24)2-3-14(10)21(9)29(25,26)16-7-15-13(6-12(16)18)20-17(22)8-27-15/h2-3,5-7,9H,4,8H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyBULBMKUYAKRYHO-UHFFFAOYSA-N
XLogP1.46
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 92683798
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556080
(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 39977365
6-chloro-7-(3,3-difluoroazetidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 138006957
6-chloro-7-(4-propan-2-ylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 51329950
6-chloro-7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 22548503
(2S)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 92863811
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24563316
(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxamide
CID 97185652
6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 7320788
6-chloro-7-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92865828
7-(4-benzylpiperazin-1-yl)sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one
CID 22548481

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 55681595) is 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BULBMKUYAKRYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O6S2/c1-9-4-10-5-11(28(19,23)24)2-3-14(10)21(9)29(25,26)16-7-15-13(6-12(16)18)20-17(22)8-27-15/h2-3,5-7,9H,4,8H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 457.92 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55681595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).