N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide

C15H15ClF3N3O4S — CID 19604913

IUPACN-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl
InChIInChI=1S/C15H15ClF3N3O4S/c1-8(2)27(25,26)20-11-6-9(4-5-10(11)16)22-13(23)7-12(15(17,18)19)21(3)14(22)24/h4-8,20H,1-3H3
InChIKeyFQBWGHGGMBWNSZ-UHFFFAOYSA-N
MW425.82 g/mol
LogP2.36
Rot. Bonds4

About N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide

N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide (PubChem CID 19604913) has the molecular formula C15H15ClF3N3O4S and a molecular weight of 425.82 g/mol. Its IUPAC name is N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide
PubChem CID19604913
Molecular FormulaC15H15ClF3N3O4S
Molecular Weight425.82 g/mol
Exact Mass425.04
IUPAC NameN-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl
InChIInChI=1S/C15H15ClF3N3O4S/c1-8(2)27(25,26)20-11-6-9(4-5-10(11)16)22-13(23)7-12(15(17,18)19)21(3)14(22)24/h4-8,20H,1-3H3
InChIKeyFQBWGHGGMBWNSZ-UHFFFAOYSA-N
XLogP2.36
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide (CID 19604913) is N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide?
The InChIKey is FQBWGHGGMBWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O4S/c1-8(2)27(25,26)20-11-6-9(4-5-10(11)16)22-13(23)7-12(15(17,18)19)21(3)14(22)24/h4-8,20H,1-3H3.
What are the key properties of N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide?
N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide has a molecular weight of 425.82 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 19604913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).