N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide

C17H14N4O2S2 — CID 122285184

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)s1
InChIInChI=1S/C17H14N4O2S2/c1-12-6-7-16(24-12)25(22,23)20-14-5-2-4-13(10-14)15-11-21-9-3-8-18-17(21)19-15/h2-11,20H,1H3
InChIKeyOBSDRHJDRYLGOX-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.57
Rot. Bonds4

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 122285184) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
PubChem CID122285184
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)s1
InChIInChI=1S/C17H14N4O2S2/c1-12-6-7-16(24-12)25(22,23)20-14-5-2-4-13(10-14)15-11-21-9-3-8-18-17(21)19-15/h2-11,20H,1H3
InChIKeyOBSDRHJDRYLGOX-UHFFFAOYSA-N
XLogP3.57
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285241
2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285192
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122285205
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 2981233
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024186
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
1-(2-fluorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285217
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 122284540
3-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylbenzenesulfonamide
CID 122285699
2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
CID 122285702
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide (CID 122285184) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)s1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is OBSDRHJDRYLGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-12-6-7-16(24-12)25(22,23)20-14-5-2-4-13(10-14)15-11-21-9-3-8-18-17(21)19-15/h2-11,20H,1H3.
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 370.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 122285184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).