N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide

C12H14N4O2S — CID 102693598

IUPACN-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)NCCC2)c1ccn[nH]1
InChIInChI=1S/C12H14N4O2S/c17-19(18,12-5-7-14-15-12)16-10-4-3-9-2-1-6-13-11(9)8-10/h3-5,7-8,13,16H,1-2,6H2,(H,14,15)
InChIKeyRQGLKYJWZLJUJM-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.57
Rot. Bonds3

About N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide

N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693598) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693598
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)NCCC2)c1ccn[nH]1
InChIInChI=1S/C12H14N4O2S/c17-19(18,12-5-7-14-15-12)16-10-4-3-9-2-1-6-13-11(9)8-10/h3-5,7-8,13,16H,1-2,6H2,(H,14,15)
InChIKeyRQGLKYJWZLJUJM-UHFFFAOYSA-N
XLogP1.57
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide (CID 102693598) is N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)NCCC2)c1ccn[nH]1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is RQGLKYJWZLJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-19(18,12-5-7-14-15-12)16-10-4-3-9-2-1-6-13-11(9)8-10/h3-5,7-8,13,16H,1-2,6H2,(H,14,15).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide?
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).