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

C19H14Cl2N4O2S — CID 11524857

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12
InChIInChI=1S/C19H14Cl2N4O2S/c20-15-2-1-3-17(18(15)21)28(26,27)25-13-7-4-11(5-8-13)12-6-9-14-16(10-12)23-24-19(14)22/h1-10,25H,(H3,22,23,24)
InChIKeyJEFQHIPHSOQFSM-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.92
Rot. Bonds4

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

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide (PubChem CID 11524857) has the molecular formula C19H14Cl2N4O2S and a molecular weight of 433.32 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
PubChem CID11524857
Molecular FormulaC19H14Cl2N4O2S
Molecular Weight433.32 g/mol
Exact Mass432.02
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12
InChIInChI=1S/C19H14Cl2N4O2S/c20-15-2-1-3-17(18(15)21)28(26,27)25-13-7-4-11(5-8-13)12-6-9-14-16(10-12)23-24-19(14)22/h1-10,25H,(H3,22,23,24)
InChIKeyJEFQHIPHSOQFSM-UHFFFAOYSA-N
XLogP4.92
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.92
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]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide (CID 11524857) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is JEFQHIPHSOQFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2S/c20-15-2-1-3-17(18(15)21)28(26,27)25-13-7-4-11(5-8-13)12-6-9-14-16(10-12)23-24-19(14)22/h1-10,25H,(H3,22,23,24).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 433.32 g/mol, XLogP of 4.92, 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]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 11524857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).