N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C12H9ClF3N3O4S — CID 21177408

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H9ClF3N3O4S/c1-5-9(10(20)18-11(21)17-5)24(22,23)19-8-4-6(12(14,15)16)2-3-7(8)13/h2-4,19H,1H3,(H2,17,18,20,21)
InChIKeyUGCVUTZAGBRERN-UHFFFAOYSA-N
MW383.74 g/mol
LogP1.84
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 21177408) has the molecular formula C12H9ClF3N3O4S and a molecular weight of 383.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID21177408
Molecular FormulaC12H9ClF3N3O4S
Molecular Weight383.74 g/mol
Exact Mass383.00
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H9ClF3N3O4S/c1-5-9(10(20)18-11(21)17-5)24(22,23)19-8-4-6(12(14,15)16)2-3-7(8)13/h2-4,19H,1H3,(H2,17,18,20,21)
InChIKeyUGCVUTZAGBRERN-UHFFFAOYSA-N
XLogP1.84
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110424614
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 165435692
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548322
N-[2-chloro-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 971753
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773507
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 113220712
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282516
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100573030
3-[2-chloro-5-(trifluoromethyl)anilino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135561118
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
CID 17174969
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 18891357

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 21177408) is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is UGCVUTZAGBRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O4S/c1-5-9(10(20)18-11(21)17-5)24(22,23)19-8-4-6(12(14,15)16)2-3-7(8)13/h2-4,19H,1H3,(H2,17,18,20,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 383.74 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 21177408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).