N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide

C15H18FN5O3S — CID 120883550

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
SMILESCn1cc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2F)CCNC3)cn1
InChIInChI=1S/C15H18FN5O3S/c1-21-9-11(7-18-21)25(23,24)19-8-14(22)20-13-3-2-10-6-17-5-4-12(10)15(13)16/h2-3,7,9,17,19H,4-6,8H2,1H3,(H,20,22)
InChIKeyQVMVGHLVBAUGGN-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.12
Rot. Bonds5

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide (PubChem CID 120883550) has the molecular formula C15H18FN5O3S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
PubChem CID120883550
Molecular FormulaC15H18FN5O3S
Molecular Weight367.41 g/mol
Exact Mass367.11
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
SMILESCn1cc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2F)CCNC3)cn1
InChIInChI=1S/C15H18FN5O3S/c1-21-9-11(7-18-21)25(23,24)19-8-14(22)20-13-3-2-10-6-17-5-4-12(10)15(13)16/h2-3,7,9,17,19H,4-6,8H2,1H3,(H,20,22)
InChIKeyQVMVGHLVBAUGGN-UHFFFAOYSA-N
XLogP0.12
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 68344225
2-(4-(1-methyl-1H-pyrazole-4-sulfonamido)phenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71806901
(3S)-N-(tert-butyl)-2-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 70781390
1-methyl-N-(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806995
methyl 7-(1-methyl-1H-pyrazole-4-sulfonamido)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 71807103
N-(2,3-dimethylphenyl)-2-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}acetamide
CID 17024361
N-[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71869074
1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide
CID 71890352
13-(1-Methylpyrazol-4-yl)sulfonyl-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one
CID 121543921
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide
CID 132109859
N-[2-amino-3-(aminomethyl)-4-methylphenyl]-3-fluoro-1-methylpyrazole-4-sulfonamide
CID 155201268

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide (CID 120883550) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide is Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2F)CCNC3)cn1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide?
The InChIKey is QVMVGHLVBAUGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3S/c1-21-9-11(7-18-21)25(23,24)19-8-14(22)20-13-3-2-10-6-17-5-4-12(10)15(13)16/h2-3,7,9,17,19H,4-6,8H2,1H3,(H,20,22).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide has a molecular weight of 367.41 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 120883550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).