1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide

C18H27BrN2O3S — CID 3267786

IUPAC1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2
InChIInChI=1S/C18H27BrN2O3S/c1-4-6-9-20(10-7-5-2)25(23,24)17-13-16(19)12-15-8-11-21(14(3)22)18(15)17/h12-13H,4-11H2,1-3H3
InChIKeyPQNMMGPXBSIJJL-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.95
Rot. Bonds8

About 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 3267786) has the molecular formula C18H27BrN2O3S and a molecular weight of 431.40 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
PubChem CID3267786
Molecular FormulaC18H27BrN2O3S
Molecular Weight431.40 g/mol
Exact Mass430.09
IUPAC Name1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2
InChIInChI=1S/C18H27BrN2O3S/c1-4-6-9-20(10-7-5-2)25(23,24)17-13-16(19)12-15-8-11-21(14(3)22)18(15)17/h12-13H,4-11H2,1-3H3
InChIKeyPQNMMGPXBSIJJL-UHFFFAOYSA-N
XLogP3.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 3237215
5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4176326
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
CID 4571342
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
CID 4247906
1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4589801
1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
CID 126478790
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-morpholin-4-ylpropan-1-one
CID 2052772
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295
1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 126478749
2-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
CID 5095633

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide (CID 3267786) is 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2.
What is the InChIKey of 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is PQNMMGPXBSIJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O3S/c1-4-6-9-20(10-7-5-2)25(23,24)17-13-16(19)12-15-8-11-21(14(3)22)18(15)17/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 431.40 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 3267786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).