N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide

C20H14F4N4O2S — CID 118721263

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(C(F)(F)F)ccc4F)cc3)ccc12
InChIInChI=1S/C20H14F4N4O2S/c21-16-8-4-13(20(22,23)24)10-18(16)31(29,30)28-14-5-1-11(2-6-14)12-3-7-15-17(9-12)26-27-19(15)25/h1-10,28H,(H3,25,26,27)
InChIKeyNHVHSFIPSNSCID-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.77
Rot. Bonds4

About N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 118721263) has the molecular formula C20H14F4N4O2S and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID118721263
Molecular FormulaC20H14F4N4O2S
Molecular Weight450.42 g/mol
Exact Mass450.08
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(C(F)(F)F)ccc4F)cc3)ccc12
InChIInChI=1S/C20H14F4N4O2S/c21-16-8-4-13(20(22,23)24)10-18(16)31(29,30)28-14-5-1-11(2-6-14)12-3-7-15-17(9-12)26-27-19(15)25/h1-10,28H,(H3,25,26,27)
InChIKeyNHVHSFIPSNSCID-UHFFFAOYSA-N
XLogP4.77
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide
CID 118721264
2-fluoro-N-[4-(1H-indol-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 141145736
4-(3-amino-1H-indazol-6-yl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]benzamide
CID 155540971
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
2-fluoro-5-(trifluoromethyl)benzonitrile;5-(trifluoromethyl)-1H-indazol-3-amine
CID 158363969
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 59766653
CID 159410584
CID 159410584
6-pyridin-4-yl-1H-indazol-3-amine;hydrochloride
CID 53317179
2-fluoro-5-(trifluoromethyl)benzenesulfonic acid;hydrochloride
CID 174972192
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide (CID 118721263) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(C(F)(F)F)ccc4F)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NHVHSFIPSNSCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O2S/c21-16-8-4-13(20(22,23)24)10-18(16)31(29,30)28-14-5-1-11(2-6-14)12-3-7-15-17(9-12)26-27-19(15)25/h1-10,28H,(H3,25,26,27).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 450.42 g/mol, XLogP of 4.77, 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-fluoro-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118721263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).