N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide

C18H14N4O2S — CID 983525

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1
InChIInChI=1S/C18H14N4O2S/c23-25(24,16-8-2-1-3-9-16)21-15-7-4-6-14(12-15)17-13-22-11-5-10-19-18(22)20-17/h1-13,21H
InChIKeyPUGQDHIPXIDYRH-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.20
Rot. Bonds4

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide (PubChem CID 983525) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
PubChem CID983525
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1
InChIInChI=1S/C18H14N4O2S/c23-25(24,16-8-2-1-3-9-16)21-15-7-4-6-14(12-15)17-13-22-11-5-10-19-18(22)20-17/h1-13,21H
InChIKeyPUGQDHIPXIDYRH-UHFFFAOYSA-N
XLogP3.20
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Grapiprant
CID 11677589
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
DB-02197
CID 5288527
BB-823
CID 9954410
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3e
CID 6539028
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
2,4-Diaminopyrimidine-based antagonist, 7
CID 11846463

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide (CID 983525) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The InChIKey is PUGQDHIPXIDYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-25(24,16-8-2-1-3-9-16)21-15-7-4-6-14(12-15)17-13-22-11-5-10-19-18(22)20-17/h1-13,21H.
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 983525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).