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

C19H14BrClN4O2S — CID 118721268

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4Cl)cc3)ccc12
InChIInChI=1S/C19H14BrClN4O2S/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)
InChIKeyZVLPMRJOSCOYFM-UHFFFAOYSA-N
MW477.77 g/mol
LogP5.03
Rot. Bonds4

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

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide (PubChem CID 118721268) has the molecular formula C19H14BrClN4O2S and a molecular weight of 477.77 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide
PubChem CID118721268
Molecular FormulaC19H14BrClN4O2S
Molecular Weight477.77 g/mol
Exact Mass475.97
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4Cl)cc3)ccc12
InChIInChI=1S/C19H14BrClN4O2S/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)
InChIKeyZVLPMRJOSCOYFM-UHFFFAOYSA-N
XLogP5.03
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.77
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
CID 118721271
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide
CID 118721258
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 118721259
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluorobenzenesulfonamide
CID 118721264
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
CID 11524857
N-[4-(3-Amino-1h-Indazol-5-Yl)phenyl]-3-Chlorobenzenesulfonamide
CID 60196236
N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide
CID 118721257
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-cyanobenzenesulfonamide
CID 118721260
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-chloro-2-cyanobenzenesulfonamide
CID 118721262
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-fluorobenzenesulfonamide
CID 118721269
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-3-chloro-2-fluorobenzenesulfonamide
CID 118721270
N-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
CID 11633803

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide (CID 118721268) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4Cl)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide?
The InChIKey is ZVLPMRJOSCOYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN4O2S/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-bromo-2-chlorobenzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-bromo-2-chlorobenzenesulfonamide has a molecular weight of 477.77 g/mol, XLogP of 5.03, 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-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 118721268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).