[1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine

C16H15BrN2O3S — CID 25118042

IUPAC[1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine
SMILESCOc1cc(Br)ccc1S(=O)(=O)n1cc(CN)c2ccccc21
InChIInChI=1S/C16H15BrN2O3S/c1-22-15-8-12(17)6-7-16(15)23(20,21)19-10-11(9-18)13-4-2-3-5-14(13)19/h2-8,10H,9,18H2,1H3
InChIKeyOEWAIWTUADHGOZ-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.11
Rot. Bonds4

About [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine

[1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine (PubChem CID 25118042) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine
PubChem CID25118042
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name[1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine
SMILESCOc1cc(Br)ccc1S(=O)(=O)n1cc(CN)c2ccccc21
InChIInChI=1S/C16H15BrN2O3S/c1-22-15-8-12(17)6-7-16(15)23(20,21)19-10-11(9-18)13-4-2-3-5-14(13)19/h2-8,10H,9,18H2,1H3
InChIKeyOEWAIWTUADHGOZ-UHFFFAOYSA-N
XLogP3.11
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-4-methoxyphenyl)sulfonyl-3-(chloromethyl)indole;piperazine
CID 159695313
1-(2-bromo-4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole;hydrochloride
CID 66852737
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
4-[5-bromo-1-(4-methoxynaphthalen-1-yl)sulfonylindole-3-carbonyl]-1,4-diazepane-1-carboxylic acid
CID 158213694
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336
[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol
CID 66852224
2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine
CID 23655288
1-(4-bromo-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 50876292
2-[5-bromo-1-(2-bromo-4-methoxyphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 10482178
1-(2-bromo-4-methoxyphenyl)sulfonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole
CID 10459958
tert-butyl N-[2-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 23655114
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine?
The IUPAC name of [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine (CID 25118042) is [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine.
What is the SMILES notation for [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine?
The canonical SMILES for [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine is COc1cc(Br)ccc1S(=O)(=O)n1cc(CN)c2ccccc21.
What is the InChIKey of [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine?
The InChIKey is OEWAIWTUADHGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c1-22-15-8-12(17)6-7-16(15)23(20,21)19-10-11(9-18)13-4-2-3-5-14(13)19/h2-8,10H,9,18H2,1H3.
What are the key properties of [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine?
[1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine has a molecular weight of 395.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methoxyphenyl)sulfonylindol-3-yl]methanamine is sourced from PubChem (CID 25118042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).