4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide

C18H20BrN3O2S — CID 11676162

IUPAC4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
SMILESCN(C)CCn1ccc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C18H20BrN3O2S/c1-21(2)11-12-22-10-9-14-13-16(5-8-18(14)22)20-25(23,24)17-6-3-15(19)4-7-17/h3-10,13,20H,11-12H2,1-2H3
InChIKeyBTEYITJWFOPNNC-UHFFFAOYSA-N
MW422.35 g/mol
LogP3.77
Rot. Bonds6

About 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide

4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide (PubChem CID 11676162) has the molecular formula C18H20BrN3O2S and a molecular weight of 422.35 g/mol. Its IUPAC name is 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
PubChem CID11676162
Molecular FormulaC18H20BrN3O2S
Molecular Weight422.35 g/mol
Exact Mass421.05
IUPAC Name4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
SMILESCN(C)CCn1ccc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C18H20BrN3O2S/c1-21(2)11-12-22-10-9-14-13-16(5-8-18(14)22)20-25(23,24)17-6-3-15(19)4-7-17/h3-10,13,20H,11-12H2,1-2H3
InChIKeyBTEYITJWFOPNNC-UHFFFAOYSA-N
XLogP3.77
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide
CID 11201712
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
CID 11270131
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
CID 11176859
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide
CID 11177658
4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide
CID 25184428
CID 175926008
CID 175926008
1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide
CID 126776307
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
5-bromo-1-(2-propylsulfonylethyl)indole
CID 106731628
1-[4-(dibutylamino)phenyl]-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91044427
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 49499379
2-(1-adamantyl)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]acetamide
CID 20660002

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide (CID 11676162) is 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide is CN(C)CCn1ccc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21.
What is the InChIKey of 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide?
The InChIKey is BTEYITJWFOPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2S/c1-21(2)11-12-22-10-9-14-13-16(5-8-18(14)22)20-25(23,24)17-6-3-15(19)4-7-17/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide?
4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide has a molecular weight of 422.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11676162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).