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

C19H16N4O2S — CID 118721257

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc12
InChIInChI=1S/C19H16N4O2S/c20-19-17-11-8-14(12-18(17)21-22-19)13-6-9-15(10-7-13)23-26(24,25)16-4-2-1-3-5-16/h1-12,23H,(H3,20,21,22)
InChIKeyUDMWFCCCDQUYMB-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.61
Rot. Bonds4

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

N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide (PubChem CID 118721257) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide
PubChem CID118721257
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc12
InChIInChI=1S/C19H16N4O2S/c20-19-17-11-8-14(12-18(17)21-22-19)13-6-9-15(10-7-13)23-26(24,25)16-4-2-1-3-5-16/h1-12,23H,(H3,20,21,22)
InChIKeyUDMWFCCCDQUYMB-UHFFFAOYSA-N
XLogP3.61
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.61
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]benzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide (CID 118721257) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide?
The InChIKey is UDMWFCCCDQUYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c20-19-17-11-8-14(12-18(17)21-22-19)13-6-9-15(10-7-13)23-26(24,25)16-4-2-1-3-5-16/h1-12,23H,(H3,20,21,22).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.61, 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]benzenesulfonamide is sourced from PubChem (CID 118721257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).