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

C17H19F3N4O2S2 — CID 70868044

IUPACN-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3c2CC(C(F)(F)F)N3)s1
InChIInChI=1S/C17H19F3N4O2S2/c18-17(19,20)14-9-12-11(5-8-22-16(12)23-14)13-1-2-15(27-13)28(25,26)24-10-3-6-21-7-4-10/h1-2,5,8,10,14,21,24H,3-4,6-7,9H2,(H,22,23)
InChIKeySIWZYXIWYVGFAR-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.74
Rot. Bonds4

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

N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide (PubChem CID 70868044) has the molecular formula C17H19F3N4O2S2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
PubChem CID70868044
Molecular FormulaC17H19F3N4O2S2
Molecular Weight432.49 g/mol
Exact Mass432.09
IUPAC NameN-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3c2CC(C(F)(F)F)N3)s1
InChIInChI=1S/C17H19F3N4O2S2/c18-17(19,20)14-9-12-11(5-8-22-16(12)23-14)13-1-2-15(27-13)28(25,26)24-10-3-6-21-7-4-10/h1-2,5,8,10,14,21,24H,3-4,6-7,9H2,(H,22,23)
InChIKeySIWZYXIWYVGFAR-UHFFFAOYSA-N
XLogP2.74
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide
CID 25122396
N-(1,1-dioxothian-4-yl)-4-methyl-2-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazole-5-sulfonamide
CID 70868060
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036
N-(oxan-4-yl)-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 87461692
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 119967115
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318
tert-butyl 5-[4-[5-[(1,1-dioxothian-4-yl)sulfamoyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 59406249
N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
CID 25122021
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide (CID 70868044) is N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3c2CC(C(F)(F)F)N3)s1.
What is the InChIKey of N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
The InChIKey is SIWZYXIWYVGFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S2/c18-17(19,20)14-9-12-11(5-8-22-16(12)23-14)13-1-2-15(27-13)28(25,26)24-10-3-6-21-7-4-10/h1-2,5,8,10,14,21,24H,3-4,6-7,9H2,(H,22,23).
What are the key properties of N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide?
N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide has a molecular weight of 432.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 70868044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).