N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

C15H17F3N4O3S — CID 91967663

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H17F3N4O3S/c1-10-8-11(21-14(20-10)22(2)3)9-19-26(23,24)13-6-4-12(5-7-13)25-15(16,17)18/h4-8,19H,9H2,1-3H3
InChIKeyQYYOKSJRRJIGKB-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.23
Rot. Bonds6

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 91967663) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID91967663
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(N(C)C)n1
InChIInChI=1S/C15H17F3N4O3S/c1-10-8-11(21-14(20-10)22(2)3)9-19-26(23,24)13-6-4-12(5-7-13)25-15(16,17)18/h4-8,19H,9H2,1-3H3
InChIKeyQYYOKSJRRJIGKB-UHFFFAOYSA-N
XLogP2.23
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-nitrobenzenesulfonamide
CID 122354206
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 122354177
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 72718438
2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 91967648
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91967754
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122262689
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
CID 167829406
(E)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 122354135
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353945
N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3258852
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 91967734

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 91967663) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QYYOKSJRRJIGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-10-8-11(21-14(20-10)22(2)3)9-19-26(23,24)13-6-4-12(5-7-13)25-15(16,17)18/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 390.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 91967663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).