N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide

C20H18N4O4S — CID 6494240

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccnc4n3)ccc2OC)cc1
InChIInChI=1S/C20H18N4O4S/c1-27-15-5-7-16(8-6-15)29(25,26)23-17-12-14(4-9-19(17)28-2)18-13-24-11-3-10-21-20(24)22-18/h3-13,23H,1-2H3
InChIKeyOALSVPZBNFSEFD-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.21
Rot. Bonds6

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 6494240) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID6494240
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccnc4n3)ccc2OC)cc1
InChIInChI=1S/C20H18N4O4S/c1-27-15-5-7-16(8-6-15)29(25,26)23-17-12-14(4-9-19(17)28-2)18-13-24-11-3-10-21-20(24)22-18/h3-13,23H,1-2H3
InChIKeyOALSVPZBNFSEFD-UHFFFAOYSA-N
XLogP3.21
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122285550
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122285575
3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 121024205
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024207
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzenesulfonamide
CID 22581302
4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122323379
4-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122323097
2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463
3-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 122323277
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
CID 122285536
4-acetyl-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122323524

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide (CID 6494240) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccnc4n3)ccc2OC)cc1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is OALSVPZBNFSEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-27-15-5-7-16(8-6-15)29(25,26)23-17-12-14(4-9-19(17)28-2)18-13-24-11-3-10-21-20(24)22-18/h3-13,23H,1-2H3.
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 410.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 6494240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).