N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide

C18H20N4O2S2 — CID 72718493

IUPACN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cccs1
InChIInChI=1S/C18H20N4O2S2/c23-26(24,17-6-3-13-25-17)20-11-12-22-16-5-2-1-4-15(16)18(21-22)14-7-9-19-10-8-14/h3,6-10,13,20H,1-2,4-5,11-12H2
InChIKeyUSCPOSQGIKCPIV-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 72718493) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID72718493
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cccs1
InChIInChI=1S/C18H20N4O2S2/c23-26(24,17-6-3-13-25-17)20-11-12-22-16-5-2-1-4-15(16)18(21-22)14-7-9-19-10-8-14/h3,6-10,13,20H,1-2,4-5,11-12H2
InChIKeyUSCPOSQGIKCPIV-UHFFFAOYSA-N
XLogP2.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 72718493) is N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cccs1.
What is the InChIKey of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is USCPOSQGIKCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-26(24,17-6-3-13-25-17)20-11-12-22-16-5-2-1-4-15(16)18(21-22)14-7-9-19-10-8-14/h3,6-10,13,20H,1-2,4-5,11-12H2.
What are the key properties of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 388.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 72718493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).