N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C21H18BrN3O2S — CID 139014986

IUPACN-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C21H18BrN3O2S/c1-25(28(26,27)19-14-24-21-17(19)11-7-13-23-21)20(15-8-3-2-4-9-15)16-10-5-6-12-18(16)22/h2-14,20H,1H3,(H,23,24)
InChIKeyVVNPOABPSIFDOD-UHFFFAOYSA-N
MW456.37 g/mol
LogP4.74
Rot. Bonds5

About N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 139014986) has the molecular formula C21H18BrN3O2S and a molecular weight of 456.37 g/mol. Its IUPAC name is N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID139014986
Molecular FormulaC21H18BrN3O2S
Molecular Weight456.37 g/mol
Exact Mass455.03
IUPAC NameN-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C21H18BrN3O2S/c1-25(28(26,27)19-14-24-21-17(19)11-7-13-23-21)20(15-8-3-2-4-9-15)16-10-5-6-12-18(16)22/h2-14,20H,1H3,(H,23,24)
InChIKeyVVNPOABPSIFDOD-UHFFFAOYSA-N
XLogP4.74
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 139014984
N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide
CID 139015010
N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 66184781
N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170221
3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 139014988
(1R)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115317706
N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 166229392
N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170220
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 139014986) is N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is VVNPOABPSIFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2S/c1-25(28(26,27)19-14-24-21-17(19)11-7-13-23-21)20(15-8-3-2-4-9-15)16-10-5-6-12-18(16)22/h2-14,20H,1H3,(H,23,24).
What are the key properties of N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 456.37 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 139014986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).