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

C20H18N4O2S — CID 118721250

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)ccc12
InChIInChI=1S/C20H18N4O2S/c21-20-18-11-8-16(12-19(18)22-23-20)15-6-9-17(10-7-15)24-27(25,26)13-14-4-2-1-3-5-14/h1-12,24H,13H2,(H3,21,22,23)
InChIKeyUGDSZKWHKFSUTO-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.75
Rot. Bonds5

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

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 118721250) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide
PubChem CID118721250
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)ccc12
InChIInChI=1S/C20H18N4O2S/c21-20-18-11-8-16(12-19(18)22-23-20)15-6-9-17(10-7-15)24-27(25,26)13-14-4-2-1-3-5-14/h1-12,24H,13H2,(H3,21,22,23)
InChIKeyUGDSZKWHKFSUTO-UHFFFAOYSA-N
XLogP3.75
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.75
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]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide (CID 118721250) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is UGDSZKWHKFSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c21-20-18-11-8-16(12-19(18)22-23-20)15-6-9-17(10-7-15)24-27(25,26)13-14-4-2-1-3-5-14/h1-12,24H,13H2,(H3,21,22,23).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.75, 5 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 118721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).