N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide

C22H22N4O3S — CID 154934468

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(-n4cccn4)cc3)cc21
InChIInChI=1S/C22H22N4O3S/c27-22(17-4-5-17)25-13-1-3-16-6-7-18(15-21(16)25)24-30(28,29)20-10-8-19(9-11-20)26-14-2-12-23-26/h2,6-12,14-15,17,24H,1,3-5,13H2
InChIKeyOZSZOOKEMMXBER-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 154934468) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID154934468
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(-n4cccn4)cc3)cc21
InChIInChI=1S/C22H22N4O3S/c27-22(17-4-5-17)25-13-1-3-16-6-7-18(15-21(16)25)24-30(28,29)20-10-8-19(9-11-20)26-14-2-12-23-26/h2,6-12,14-15,17,24H,1,3-5,13H2
InChIKeyOZSZOOKEMMXBER-UHFFFAOYSA-N
XLogP3.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide with MolForge

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Related Compounds

1-[4-(1H-Pyrazol-1-YL)benzenesulfonyl]-1,2,3,4-tetrahydroquinoline
CID 2815513
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide
CID 154934395
N-ethyl-1-(4-pyrazol-1-ylphenyl)sulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71737676
N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 71737622
US10239843, Example 491
CID 121398412
N-(1-benzylpiperidin-4-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914805
N-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 20914819
1-methyl-N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806452
N-[1-(2-methoxyacetyl)-1,2,3,4-tetrahydroquinolin-7-yl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806503
1-(4-fluorophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17517172
N-[(1-phenylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24249726
N-[(1-phenylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 42033205

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide (CID 154934468) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide is O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(-n4cccn4)cc3)cc21.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is OZSZOOKEMMXBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-22(17-4-5-17)25-13-1-3-16-6-7-18(15-21(16)25)24-30(28,29)20-10-8-19(9-11-20)26-14-2-12-23-26/h2,6-12,14-15,17,24H,1,3-5,13H2.
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 154934468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).