1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide

C18H19BrN2O4S — CID 15991662

IUPAC1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)c1
InChIInChI=1S/C18H19BrN2O4S/c1-11-7-13-8-14(19)9-17(18(13)21(11)12(2)22)26(23,24)20-15-5-4-6-16(10-15)25-3/h4-6,8-11,20H,7H2,1-3H3
InChIKeyMYFRIBZFYQEAOU-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.56
Rot. Bonds4

About 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 15991662) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
PubChem CID15991662
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)c1
InChIInChI=1S/C18H19BrN2O4S/c1-11-7-13-8-14(19)9-17(18(13)21(11)12(2)22)26(23,24)20-15-5-4-6-16(10-15)25-3/h4-6,8-11,20H,7H2,1-3H3
InChIKeyMYFRIBZFYQEAOU-UHFFFAOYSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 3491525
1-acetyl-5-bromo-N-[(4-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 15987830
1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 15991661
1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3239864
3-[[(2R)-1-acetyl-5-bromo-2-methyl-2,3-dihydroindol-7-yl]sulfonyl]-N-(4-bromophenyl)propanamide
CID 98196599
1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide
CID 15994157
(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
CID 92705152
1-[5-bromo-2-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 4136249
1-acetyl-5-bromo-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 3419542
1-[5-bromo-7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 15992585
5-bromo-N-(3-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144727
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide (CID 15991662) is 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide is COc1cccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)c1.
What is the InChIKey of 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is MYFRIBZFYQEAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-11-7-13-8-14(19)9-17(18(13)21(11)12(2)22)26(23,24)20-15-5-4-6-16(10-15)25-3/h4-6,8-11,20H,7H2,1-3H3.
What are the key properties of 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 439.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 15991662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).