N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide

C19H14ClFN4O2S — CID 118721271

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)ccc12
InChIInChI=1S/C19H14ClFN4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
InChIKeyADQJWMZSDXQWOJ-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide (PubChem CID 118721271) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
PubChem CID118721271
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)ccc12
InChIInChI=1S/C19H14ClFN4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24)
InChIKeyADQJWMZSDXQWOJ-UHFFFAOYSA-N
XLogP4.41
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide (CID 118721271) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide?
The InChIKey is ADQJWMZSDXQWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c20-13-4-8-16(21)18(10-13)28(26,27)25-14-5-1-11(2-6-14)12-3-7-15-17(9-12)23-24-19(15)22/h1-10,25H,(H3,22,23,24).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide has a molecular weight of 416.87 g/mol, XLogP of 4.41, 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]-5-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 118721271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).