4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

C19H18BrN3O2S — CID 122283176

IUPAC4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2S/c20-14-8-10-15(11-9-14)26(24,25)22-17-6-2-1-5-16(17)18-13-23-12-4-3-7-19(23)21-18/h1-2,5-6,8-11,13,22H,3-4,7,12H2
InChIKeyZMSDUMGPRXVOTB-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.45
Rot. Bonds4

About 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 122283176) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID122283176
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC Name4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2S/c20-14-8-10-15(11-9-14)26(24,25)22-17-6-2-1-5-16(17)18-13-23-12-4-3-7-19(23)21-18/h1-2,5-6,8-11,13,22H,3-4,7,12H2
InChIKeyZMSDUMGPRXVOTB-UHFFFAOYSA-N
XLogP4.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283202
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-sulfonamide
CID 122283247
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 119106018
2,5-difluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283171
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]morpholine-4-sulfonamide
CID 122283282
1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122283263
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122282712
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122282784
1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide
CID 121023240
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
2-oxo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]imidazolidine-1-carboxamide
CID 122283098
1-acetyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide
CID 122282894

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (CID 122283176) is 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is ZMSDUMGPRXVOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c20-14-8-10-15(11-9-14)26(24,25)22-17-6-2-1-5-16(17)18-13-23-12-4-3-7-19(23)21-18/h1-2,5-6,8-11,13,22H,3-4,7,12H2.
What are the key properties of 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 432.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122283176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).