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

C19H15ClN4O2S — CID 118721258

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)ccc12
InChIInChI=1S/C19H15ClN4O2S/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)
InChIKeyOWFLELTUFLWGEB-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.27
Rot. Bonds4

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

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide (PubChem CID 118721258) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide
PubChem CID118721258
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)ccc12
InChIInChI=1S/C19H15ClN4O2S/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)
InChIKeyOWFLELTUFLWGEB-UHFFFAOYSA-N
XLogP4.27
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.27
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-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide (CID 118721258) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide?
The InChIKey is OWFLELTUFLWGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/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-chlorobenzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-chlorobenzenesulfonamide has a molecular weight of 398.88 g/mol, XLogP of 4.27, 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-chlorobenzenesulfonamide is sourced from PubChem (CID 118721258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).