N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide

C24H24ClFN4O5S2 — CID 59456026

IUPACN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
SMILESCOc1c(F)ccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1
InChIInChI=1S/C24H24ClFN4O5S2/c1-24(2,32)23(31)27-12-14-5-4-6-15(11-14)13-30-17-8-7-16(26)21(35-3)20(17)22(28-30)29-37(33,34)19-10-9-18(25)36-19/h4-11,32H,12-13H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyIDEBAGBKCFKXLA-UHFFFAOYSA-N
MW567.06 g/mol
LogP4.14
Rot. Bonds9

About N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide

N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide (PubChem CID 59456026) has the molecular formula C24H24ClFN4O5S2 and a molecular weight of 567.06 g/mol. Its IUPAC name is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
PubChem CID59456026
Molecular FormulaC24H24ClFN4O5S2
Molecular Weight567.06 g/mol
Exact Mass566.09
IUPAC NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
SMILESCOc1c(F)ccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1
InChIInChI=1S/C24H24ClFN4O5S2/c1-24(2,32)23(31)27-12-14-5-4-6-15(11-14)13-30-17-8-7-16(26)21(35-3)20(17)22(28-30)29-37(33,34)19-10-9-18(25)36-19/h4-11,32H,12-13H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyIDEBAGBKCFKXLA-UHFFFAOYSA-N
XLogP4.14
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.06
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide (CID 59456026) is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide is COc1c(F)ccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1.
What is the InChIKey of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is IDEBAGBKCFKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O5S2/c1-24(2,32)23(31)27-12-14-5-4-6-15(11-14)13-30-17-8-7-16(26)21(35-3)20(17)22(28-30)29-37(33,34)19-10-9-18(25)36-19/h4-11,32H,12-13H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide?
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 567.06 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 59456026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).