4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide

C17H17BrN2O2S — CID 3438770

IUPAC4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)c3ccc(Br)cc3)ccc2n1C
InChIInChI=1S/C17H17BrN2O2S/c1-12-9-14-10-13(3-8-17(14)20(12)2)11-19-23(21,22)16-6-4-15(18)5-7-16/h3-10,19H,11H2,1-2H3
InChIKeyASMXMFNJGLYVNM-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.73
Rot. Bonds4

About 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide

4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide (PubChem CID 3438770) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide
PubChem CID3438770
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC Name4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)c3ccc(Br)cc3)ccc2n1C
InChIInChI=1S/C17H17BrN2O2S/c1-12-9-14-10-13(3-8-17(14)20(12)2)11-19-23(21,22)16-6-4-15(18)5-7-16/h3-10,19H,11H2,1-2H3
InChIKeyASMXMFNJGLYVNM-UHFFFAOYSA-N
XLogP3.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 4299391
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427929
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110427909
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide
CID 169029465
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
4-bromo-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
CID 3348054
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 110785413
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide (CID 3438770) is 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide is Cc1cc2cc(CNS(=O)(=O)c3ccc(Br)cc3)ccc2n1C.
What is the InChIKey of 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide?
The InChIKey is ASMXMFNJGLYVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c1-12-9-14-10-13(3-8-17(14)20(12)2)11-19-23(21,22)16-6-4-15(18)5-7-16/h3-10,19H,11H2,1-2H3.
What are the key properties of 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide?
4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide has a molecular weight of 393.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3438770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).