5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide

C15H13F3N6O2S2 — CID 50944028

IUPAC5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncc(C(F)(F)F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H13F3N6O2S2/c16-15(17,18)8-6-20-14(10-3-4-12(27-10)28(19,25)26)22-13(8)21-11-5-9(23-24-11)7-1-2-7/h3-7H,1-2H2,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKeyTZTVAKJXMNTXMK-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.22
Rot. Bonds5

About 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide (PubChem CID 50944028) has the molecular formula C15H13F3N6O2S2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide
PubChem CID50944028
Molecular FormulaC15H13F3N6O2S2
Molecular Weight430.44 g/mol
Exact Mass430.05
IUPAC Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncc(C(F)(F)F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H13F3N6O2S2/c16-15(17,18)8-6-20-14(10-3-4-12(27-10)28(19,25)26)22-13(8)21-11-5-9(23-24-11)7-1-2-7/h3-7H,1-2H2,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKeyTZTVAKJXMNTXMK-UHFFFAOYSA-N
XLogP3.22
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide (CID 50944028) is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2ncc(C(F)(F)F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide?
The InChIKey is TZTVAKJXMNTXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O2S2/c16-15(17,18)8-6-20-14(10-3-4-12(27-10)28(19,25)26)22-13(8)21-11-5-9(23-24-11)7-1-2-7/h3-7H,1-2H2,(H2,19,25,26)(H2,20,21,22,23,24).
What are the key properties of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide?
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide has a molecular weight of 430.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 50944028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).