N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide

C20H19N3O4S — CID 164626870

IUPACN-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CCCC4=O)cc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-16-9-5-14(6-10-16)22-28(25,26)17-11-7-15(8-12-17)23-19-3-2-4-20(24)18(19)13-21-23/h5-13,22H,2-4H2,1H3
InChIKeyISIFNBIDTLWAEC-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.20
Rot. Bonds5

About N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide

N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide (PubChem CID 164626870) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
PubChem CID164626870
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CCCC4=O)cc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-16-9-5-14(6-10-16)22-28(25,26)17-11-7-15(8-12-17)23-19-3-2-4-20(24)18(19)13-21-23/h5-13,22H,2-4H2,1H3
InChIKeyISIFNBIDTLWAEC-UHFFFAOYSA-N
XLogP3.20
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
CID 164625286
(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101010
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 4149169
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide
CID 90557364
4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide (CID 164626870) is N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-n3ncc4c3CCCC4=O)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide?
The InChIKey is ISIFNBIDTLWAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-16-9-5-14(6-10-16)22-28(25,26)17-11-7-15(8-12-17)23-19-3-2-4-20(24)18(19)13-21-23/h5-13,22H,2-4H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide?
N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 164626870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).