N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide

C20H17N5O2S — CID 121135336

IUPACN-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide
SMILESCc1nccn1-c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)ncn1
InChIInChI=1S/C20H17N5O2S/c1-15-21-11-12-25(15)20-13-19(22-14-23-20)24-28(26,27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,23,24)
InChIKeyXKGHVOOBFSABMX-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.44
Rot. Bonds5

About N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide

N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide (PubChem CID 121135336) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide
PubChem CID121135336
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide
SMILESCc1nccn1-c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)ncn1
InChIInChI=1S/C20H17N5O2S/c1-15-21-11-12-25(15)20-13-19(22-14-23-20)24-28(26,27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,23,24)
InChIKeyXKGHVOOBFSABMX-UHFFFAOYSA-N
XLogP3.44
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122291982
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-phenoxybenzenesulfonamide
CID 121074012
5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135373
2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135320
3,4-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074181
2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291987
4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135011
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122291966
4-cyano-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312564
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122290996
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 122328620

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide (CID 121135336) is N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide is Cc1nccn1-c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)ncn1.
What is the InChIKey of N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide?
The InChIKey is XKGHVOOBFSABMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-15-21-11-12-25(15)20-13-19(22-14-23-20)24-28(26,27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide?
N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide has a molecular weight of 391.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 121135336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).