1-(benzenesulfonyl)-7-bromoindole

C14H10BrNO2S — CID 46738223

IUPAC1-(benzenesulfonyl)-7-bromoindole
SMILESO=S(=O)(c1ccccc1)n1ccc2cccc(Br)c21
InChIInChI=1S/C14H10BrNO2S/c15-13-8-4-5-11-9-10-16(14(11)13)19(17,18)12-6-2-1-3-7-12/h1-10H
InChIKeyMLHVZUNBUWHKNY-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.64
Rot. Bonds2

About 1-(benzenesulfonyl)-7-bromoindole

1-(benzenesulfonyl)-7-bromoindole (PubChem CID 46738223) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-bromoindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-bromoindole
PubChem CID46738223
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name1-(benzenesulfonyl)-7-bromoindole
SMILESO=S(=O)(c1ccccc1)n1ccc2cccc(Br)c21
InChIInChI=1S/C14H10BrNO2S/c15-13-8-4-5-11-9-10-16(14(11)13)19(17,18)12-6-2-1-3-7-12/h1-10H
InChIKeyMLHVZUNBUWHKNY-UHFFFAOYSA-N
XLogP3.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
CID 164886533
7-(7-bromoindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10272608
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
3-[1-(benzenesulfonyl)indol-7-yl]oxypropan-1-amine
CID 69368603
4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid
CID 22674223
1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline
CID 15474221
1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole
CID 142393270
1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine
CID 45074561
1-(3-bromo-4-methylphenyl)sulfonylindole
CID 66766050
3-indol-1-ylsulfonylphenol
CID 59272903
1-(4-chlorophenyl)sulfonylindole
CID 4689237
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-7-bromoindole?
The IUPAC name of 1-(benzenesulfonyl)-7-bromoindole (CID 46738223) is 1-(benzenesulfonyl)-7-bromoindole.
What is the SMILES notation for 1-(benzenesulfonyl)-7-bromoindole?
The canonical SMILES for 1-(benzenesulfonyl)-7-bromoindole is O=S(=O)(c1ccccc1)n1ccc2cccc(Br)c21.
What is the InChIKey of 1-(benzenesulfonyl)-7-bromoindole?
The InChIKey is MLHVZUNBUWHKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c15-13-8-4-5-11-9-10-16(14(11)13)19(17,18)12-6-2-1-3-7-12/h1-10H.
What are the key properties of 1-(benzenesulfonyl)-7-bromoindole?
1-(benzenesulfonyl)-7-bromoindole has a molecular weight of 336.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-bromoindole is sourced from PubChem (CID 46738223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).