5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide

C10H10ClF3N4O3S2 — CID 71793725

IUPAC5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCn1c(C(F)(F)F)nn(CCNS(=O)(=O)c2ccc(Cl)s2)c1=O
InChIInChI=1S/C10H10ClF3N4O3S2/c1-17-8(10(12,13)14)16-18(9(17)19)5-4-15-23(20,21)7-3-2-6(11)22-7/h2-3,15H,4-5H2,1H3
InChIKeyHZXYVJOSOXAWFB-UHFFFAOYSA-N
MW390.80 g/mol
LogP1.29
Rot. Bonds5

About 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 71793725) has the molecular formula C10H10ClF3N4O3S2 and a molecular weight of 390.80 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID71793725
Molecular FormulaC10H10ClF3N4O3S2
Molecular Weight390.80 g/mol
Exact Mass389.98
IUPAC Name5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCn1c(C(F)(F)F)nn(CCNS(=O)(=O)c2ccc(Cl)s2)c1=O
InChIInChI=1S/C10H10ClF3N4O3S2/c1-17-8(10(12,13)14)16-18(9(17)19)5-4-15-23(20,21)7-3-2-6(11)22-7/h2-3,15H,4-5H2,1H3
InChIKeyHZXYVJOSOXAWFB-UHFFFAOYSA-N
XLogP1.29
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 121077958
5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
CID 46286443
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207528
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268956
5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 121117828
5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110397622
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 71807866
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506
5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 122150712

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide (CID 71793725) is 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide is Cn1c(C(F)(F)F)nn(CCNS(=O)(=O)c2ccc(Cl)s2)c1=O.
What is the InChIKey of 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is HZXYVJOSOXAWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4O3S2/c1-17-8(10(12,13)14)16-18(9(17)19)5-4-15-23(20,21)7-3-2-6(11)22-7/h2-3,15H,4-5H2,1H3.
What are the key properties of 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 390.80 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71793725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).