3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one

C15H14BrNO3S2 — CID 3238964

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21
InChIInChI=1S/C15H14BrNO3S2/c16-13-5-6-15(21-13)22(19,20)10-8-14(18)17-9-7-11-3-1-2-4-12(11)17/h1-6H,7-10H2
InChIKeyMUROXTJLWXOUPO-UHFFFAOYSA-N
MW400.32 g/mol
LogP3.26
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one

3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 3238964) has the molecular formula C15H14BrNO3S2 and a molecular weight of 400.32 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID3238964
Molecular FormulaC15H14BrNO3S2
Molecular Weight400.32 g/mol
Exact Mass398.96
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21
InChIInChI=1S/C15H14BrNO3S2/c16-13-5-6-15(21-13)22(19,20)10-8-14(18)17-9-7-11-3-1-2-4-12(11)17/h1-6H,7-10H2
InChIKeyMUROXTJLWXOUPO-UHFFFAOYSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
CID 654187
1-[3-(2-Thienyl)acryloyl]indoline
CID 885474
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
3-[(5-bromo-2-thienyl)sulfonyl]-N-(o-tolyl)propionamide
CID 15992306
(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-methylindol-2-one
CID 2109452
1-[(Phenylsulfonyl)acetyl]indoline
CID 2990897
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-2-thiophenesulfonamide
CID 3238258
N-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 3245390
3-[(5-bromothien-2-yl)sulfonyl]-N-(4-methylphenyl)propanamide
CID 22427349
Thiophene derivative, 17h
CID 25023810
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]thiophene-2-sulfonamide
CID 16030889

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 3238964) is 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one is O=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is MUROXTJLWXOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S2/c16-13-5-6-15(21-13)22(19,20)10-8-14(18)17-9-7-11-3-1-2-4-12(11)17/h1-6H,7-10H2.
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 400.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 3238964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).