5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine

C17H15Cl2FN4O2S — CID 177134060

IUPAC5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine
SMILESCc1[nH]c([C@@H](Nc2ccc(Cl)cn2)c2ccc(F)c(Cl)c2)nc1S(C)(=O)=O
InChIInChI=1S/C17H15Cl2FN4O2S/c1-9-17(27(2,25)26)24-16(22-9)15(10-3-5-13(20)12(19)7-10)23-14-6-4-11(18)8-21-14/h3-8,15H,1-2H3,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyLEZNYSCELXLVOM-HNNXBMFYSA-N
MW429.30 g/mol
LogP4.16
Rot. Bonds5

About 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine

5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 177134060) has the molecular formula C17H15Cl2FN4O2S and a molecular weight of 429.30 g/mol. Its IUPAC name is 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine
PubChem CID177134060
Molecular FormulaC17H15Cl2FN4O2S
Molecular Weight429.30 g/mol
Exact Mass428.03
IUPAC Name5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine
SMILESCc1[nH]c([C@@H](Nc2ccc(Cl)cn2)c2ccc(F)c(Cl)c2)nc1S(C)(=O)=O
InChIInChI=1S/C17H15Cl2FN4O2S/c1-9-17(27(2,25)26)24-16(22-9)15(10-3-5-13(20)12(19)7-10)23-14-6-4-11(18)8-21-14/h3-8,15H,1-2H3,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyLEZNYSCELXLVOM-HNNXBMFYSA-N
XLogP4.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine (CID 177134060) is 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine is Cc1[nH]c([C@@H](Nc2ccc(Cl)cn2)c2ccc(F)c(Cl)c2)nc1S(C)(=O)=O.
What is the InChIKey of 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is LEZNYSCELXLVOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15Cl2FN4O2S/c1-9-17(27(2,25)26)24-16(22-9)15(10-3-5-13(20)12(19)7-10)23-14-6-4-11(18)8-21-14/h3-8,15H,1-2H3,(H,21,23)(H,22,24)/t15-/m0/s1.
What are the key properties of 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine?
5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 429.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 177134060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).