1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

C17H18BrN3O4S — CID 75451751

IUPAC1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3cn(C)cc(Br)c3=O)cc2CC1C
InChIInChI=1S/C17H18BrN3O4S/c1-10-6-12-7-13(4-5-16(12)21(10)11(2)22)26(24,25)19-15-9-20(3)8-14(18)17(15)23/h4-5,7-10,19H,6H2,1-3H3
InChIKeyUKAFWEVXEAAPJE-UHFFFAOYSA-N
MW440.32 g/mol
LogP2.25
Rot. Bonds3

About 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 75451751) has the molecular formula C17H18BrN3O4S and a molecular weight of 440.32 g/mol. Its IUPAC name is 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID75451751
Molecular FormulaC17H18BrN3O4S
Molecular Weight440.32 g/mol
Exact Mass439.02
IUPAC Name1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3cn(C)cc(Br)c3=O)cc2CC1C
InChIInChI=1S/C17H18BrN3O4S/c1-10-6-12-7-13(4-5-16(12)21(10)11(2)22)26(24,25)19-15-9-20(3)8-14(18)17(15)23/h4-5,7-10,19H,6H2,1-3H3
InChIKeyUKAFWEVXEAAPJE-UHFFFAOYSA-N
XLogP2.25
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 15996791
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-N-[2-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119985860
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55490088
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119980970

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 75451751) is 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)Nc3cn(C)cc(Br)c3=O)cc2CC1C.
What is the InChIKey of 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is UKAFWEVXEAAPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4S/c1-10-6-12-7-13(4-5-16(12)21(10)11(2)22)26(24,25)19-15-9-20(3)8-14(18)17(15)23/h4-5,7-10,19H,6H2,1-3H3.
What are the key properties of 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 440.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 75451751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).