5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide

C10H9ClF3N3O2S2 — CID 136535259

IUPAC5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)sc1Cl
InChIInChI=1S/C10H9ClF3N3O2S2/c1-5-3-7(20-9(5)11)21(18,19)16-6-4-17(2)15-8(6)10(12,13)14/h3-4,16H,1-2H3
InChIKeyPWZSCKWJILIQRL-UHFFFAOYSA-N
MW359.78 g/mol
LogP3.26
Rot. Bonds3

About 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide

5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 136535259) has the molecular formula C10H9ClF3N3O2S2 and a molecular weight of 359.78 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID136535259
Molecular FormulaC10H9ClF3N3O2S2
Molecular Weight359.78 g/mol
Exact Mass358.98
IUPAC Name5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)sc1Cl
InChIInChI=1S/C10H9ClF3N3O2S2/c1-5-3-7(20-9(5)11)21(18,19)16-6-4-17(2)15-8(6)10(12,13)14/h3-4,16H,1-2H3
InChIKeyPWZSCKWJILIQRL-UHFFFAOYSA-N
XLogP3.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide (CID 136535259) is 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)sc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is PWZSCKWJILIQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O2S2/c1-5-3-7(20-9(5)11)21(18,19)16-6-4-17(2)15-8(6)10(12,13)14/h3-4,16H,1-2H3.
What are the key properties of 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 359.78 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 136535259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).