5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide

C15H14ClN5O2S — CID 121135373

IUPAC5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-n2ccnc2C)ncn1
InChIInChI=1S/C15H14ClN5O2S/c1-10-3-4-12(16)7-13(10)24(22,23)20-14-8-15(19-9-18-14)21-6-5-17-11(21)2/h3-9H,1-2H3,(H,18,19,20)
InChIKeyROADNPKWNJTWGB-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide

5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 121135373) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID121135373
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-n2ccnc2C)ncn1
InChIInChI=1S/C15H14ClN5O2S/c1-10-3-4-12(16)7-13(10)24(22,23)20-14-8-15(19-9-18-14)21-6-5-17-11(21)2/h3-9H,1-2H3,(H,18,19,20)
InChIKeyROADNPKWNJTWGB-UHFFFAOYSA-N
XLogP2.73
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065
2,5-difluoro-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135320
5-chloro-2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291970
2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074191
N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide
CID 121135336
5-chloro-2-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312878
3,4-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074181
1-(3-chlorophenyl)-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122291027
5-chloro-2-methyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308308
3-chloro-2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122290976
2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291987
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 121073997

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide (CID 121135373) is 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-n2ccnc2C)ncn1.
What is the InChIKey of 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is ROADNPKWNJTWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-10-3-4-12(16)7-13(10)24(22,23)20-14-8-15(19-9-18-14)21-6-5-17-11(21)2/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 121135373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).