N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine

C14H10ClF3N4O2S — CID 175560812

IUPACN-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine
SMILESCS(=O)(=O)n1ccc2cccc(Nc3nc(Cl)ncc3C(F)(F)F)c21
InChIInChI=1S/C14H10ClF3N4O2S/c1-25(23,24)22-6-5-8-3-2-4-10(11(8)22)20-12-9(14(16,17)18)7-19-13(15)21-12/h2-7H,1H3,(H,19,20,21)
InChIKeyQEZCFZZYBZCMEI-UHFFFAOYSA-N
MW390.77 g/mol
LogP3.65
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine

N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine (PubChem CID 175560812) has the molecular formula C14H10ClF3N4O2S and a molecular weight of 390.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine
PubChem CID175560812
Molecular FormulaC14H10ClF3N4O2S
Molecular Weight390.77 g/mol
Exact Mass390.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine
SMILESCS(=O)(=O)n1ccc2cccc(Nc3nc(Cl)ncc3C(F)(F)F)c21
InChIInChI=1S/C14H10ClF3N4O2S/c1-25(23,24)22-6-5-8-3-2-4-10(11(8)22)20-12-9(14(16,17)18)7-19-13(15)21-12/h2-7H,1H3,(H,19,20,21)
InChIKeyQEZCFZZYBZCMEI-UHFFFAOYSA-N
XLogP3.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-9-methyl-N-(1-methylsulfonylindol-7-yl)purin-6-amine
CID 175424570
[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]carbamic acid
CID 90330798
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
CID 175424607
N-tert-butyl-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 167442568
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
CID 86633945
N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine
CID 88951843
2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 145420271
N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine
CID 175858931
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 156636551
N-[3-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
CID 168876564

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine (CID 175560812) is N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine is CS(=O)(=O)n1ccc2cccc(Nc3nc(Cl)ncc3C(F)(F)F)c21.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine?
The InChIKey is QEZCFZZYBZCMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O2S/c1-25(23,24)22-6-5-8-3-2-4-10(11(8)22)20-12-9(14(16,17)18)7-19-13(15)21-12/h2-7H,1H3,(H,19,20,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine?
N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine has a molecular weight of 390.77 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine is sourced from PubChem (CID 175560812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).