N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide

C15H14F3N3O3S2 — CID 25122021

IUPACN-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)s1
InChIInChI=1S/C15H14F3N3O3S2/c1-8(22)7-20-26(23,24)13-3-2-11(25-13)9-4-5-19-14-10(9)6-12(21-14)15(16,17)18/h2-6,8,20,22H,7H2,1H3,(H,19,21)/t8-/m1/s1
InChIKeyLFZWRHDLLVAFHM-MRVPVSSYSA-N
MW405.42 g/mol
LogP2.97
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide

N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide (PubChem CID 25122021) has the molecular formula C15H14F3N3O3S2 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
PubChem CID25122021
Molecular FormulaC15H14F3N3O3S2
Molecular Weight405.42 g/mol
Exact Mass405.04
IUPAC NameN-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)s1
InChIInChI=1S/C15H14F3N3O3S2/c1-8(22)7-20-26(23,24)13-3-2-11(25-13)9-4-5-19-14-10(9)6-12(21-14)15(16,17)18/h2-6,8,20,22H,7H2,1H3,(H,19,21)/t8-/m1/s1
InChIKeyLFZWRHDLLVAFHM-MRVPVSSYSA-N
XLogP2.97
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide (CID 25122021) is N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide is C[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)s1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The InChIKey is LFZWRHDLLVAFHM-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S2/c1-8(22)7-20-26(23,24)13-3-2-11(25-13)9-4-5-19-14-10(9)6-12(21-14)15(16,17)18/h2-6,8,20,22H,7H2,1H3,(H,19,21)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide has a molecular weight of 405.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 25122021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).