N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide

C17H16ClFN4O2S — CID 154766941

IUPACN-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)Nc1cnc3c(F)cccc3c1Cl)CCCC2
InChIInChI=1S/C17H16ClFN4O2S/c1-23-17(10-5-2-3-8-13(10)21-23)26(24,25)22-14-9-20-16-11(15(14)18)6-4-7-12(16)19/h4,6-7,9,22H,2-3,5,8H2,1H3
InChIKeyJYSSBWTZFCGULP-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.44
Rot. Bonds3

About N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide

N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide (PubChem CID 154766941) has the molecular formula C17H16ClFN4O2S and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
PubChem CID154766941
Molecular FormulaC17H16ClFN4O2S
Molecular Weight394.86 g/mol
Exact Mass394.07
IUPAC NameN-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)Nc1cnc3c(F)cccc3c1Cl)CCCC2
InChIInChI=1S/C17H16ClFN4O2S/c1-23-17(10-5-2-3-8-13(10)21-23)26(24,25)22-14-9-20-16-11(15(14)18)6-4-7-12(16)19/h4,6-7,9,22H,2-3,5,8H2,1H3
InChIKeyJYSSBWTZFCGULP-UHFFFAOYSA-N
XLogP3.44
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The IUPAC name of N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide (CID 154766941) is N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The canonical SMILES for N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide is Cn1nc2c(c1S(=O)(=O)Nc1cnc3c(F)cccc3c1Cl)CCCC2.
What is the InChIKey of N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The InChIKey is JYSSBWTZFCGULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2S/c1-23-17(10-5-2-3-8-13(10)21-23)26(24,25)22-14-9-20-16-11(15(14)18)6-4-7-12(16)19/h4,6-7,9,22H,2-3,5,8H2,1H3.
What are the key properties of N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide has a molecular weight of 394.86 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide is sourced from PubChem (CID 154766941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).