1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide

C19H20BrN3O3S — CID 129103888

IUPAC1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C19H20BrN3O3S/c1-22(2)11-10-21-19(24)17-13-23(18-12-14(20)8-9-16(17)18)27(25,26)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)
InChIKeyUBQSPAZVXBPBSX-UHFFFAOYSA-N
MW450.36 g/mol
LogP2.93
Rot. Bonds6

About 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide

1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide (PubChem CID 129103888) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
PubChem CID129103888
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC Name1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C19H20BrN3O3S/c1-22(2)11-10-21-19(24)17-13-23(18-12-14(20)8-9-16(17)18)27(25,26)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)
InChIKeyUBQSPAZVXBPBSX-UHFFFAOYSA-N
XLogP2.93
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide (CID 129103888) is 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide is CN(C)CCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12.
What is the InChIKey of 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide?
The InChIKey is UBQSPAZVXBPBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c1-22(2)11-10-21-19(24)17-13-23(18-12-14(20)8-9-16(17)18)27(25,26)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide?
1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide has a molecular weight of 450.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-bromo-N-[2-(dimethylamino)ethyl]indole-3-carboxamide is sourced from PubChem (CID 129103888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).