N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide

C19H15FN4O2S — CID 118721264

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)ccc12
InChIInChI=1S/C19H15FN4O2S/c20-16-3-1-2-4-18(16)27(25,26)24-14-8-5-12(6-9-14)13-7-10-15-17(11-13)22-23-19(15)21/h1-11,24H,(H3,21,22,23)
InChIKeyWQDHORVOGLWUOH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.75
Rot. Bonds4

About N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide (PubChem CID 118721264) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide
PubChem CID118721264
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)ccc12
InChIInChI=1S/C19H15FN4O2S/c20-16-3-1-2-4-18(16)27(25,26)24-14-8-5-12(6-9-14)13-7-10-15-17(11-13)22-23-19(15)21/h1-11,24H,(H3,21,22,23)
InChIKeyWQDHORVOGLWUOH-UHFFFAOYSA-N
XLogP3.75
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 118721263
2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2445035
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
4-(3-amino-1H-indazol-6-yl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]benzamide
CID 155540971
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
2-fluoro-N-(1H-indol-6-yl)benzenesulfonamide
CID 71954733
6-pyridin-4-yl-1H-indazol-3-amine;hydrochloride
CID 53317179
2-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 41342532
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91530525
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide (CID 118721264) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is WQDHORVOGLWUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c20-16-3-1-2-4-18(16)27(25,26)24-14-8-5-12(6-9-14)13-7-10-15-17(11-13)22-23-19(15)21/h1-11,24H,(H3,21,22,23).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 382.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 118721264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).