N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C14H18N4O2S — CID 61461227

IUPACN-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESO=S(=O)(NCCn1cccn1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H18N4O2S/c19-21(20,17-8-10-18-9-2-7-16-18)13-4-5-14-12(11-13)3-1-6-15-14/h2,4-5,7,9,11,15,17H,1,3,6,8,10H2
InChIKeyASRFMWYWZWKKKJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.22
Rot. Bonds5

About N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 61461227) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID61461227
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESO=S(=O)(NCCn1cccn1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H18N4O2S/c19-21(20,17-8-10-18-9-2-7-16-18)13-4-5-14-12(11-13)3-1-6-15-14/h2,4-5,7,9,11,15,17H,1,3,6,8,10H2
InChIKeyASRFMWYWZWKKKJ-UHFFFAOYSA-N
XLogP1.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463014
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 63282524
3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461304

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 61461227) is N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide is O=S(=O)(NCCn1cccn1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is ASRFMWYWZWKKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,17-8-10-18-9-2-7-16-18)13-4-5-14-12(11-13)3-1-6-15-14/h2,4-5,7,9,11,15,17H,1,3,6,8,10H2.
What are the key properties of N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 61461227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).