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

C26H27ClN4O5S — CID 56848674

IUPACN-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1cccc(Cl)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1
InChIInChI=1S/C26H27ClN4O5S/c1-26(2,33)25(32)28-15-17-7-4-8-18(13-17)16-31-21-11-6-12-22(36-3)23(21)24(29-31)30-37(34,35)20-10-5-9-19(27)14-20/h4-14,33H,15-16H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyYCZOPYLLVPGEAR-UHFFFAOYSA-N
MW543.05 g/mol
LogP3.93
Rot. Bonds9

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

N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide (PubChem CID 56848674) has the molecular formula C26H27ClN4O5S and a molecular weight of 543.05 g/mol. Its IUPAC name is N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
PubChem CID56848674
Molecular FormulaC26H27ClN4O5S
Molecular Weight543.05 g/mol
Exact Mass542.14
IUPAC NameN-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1cccc(Cl)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1
InChIInChI=1S/C26H27ClN4O5S/c1-26(2,33)25(32)28-15-17-7-4-8-18(13-17)16-31-21-11-6-12-22(36-3)23(21)24(29-31)30-37(34,35)20-10-5-9-19(27)14-20/h4-14,33H,15-16H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyYCZOPYLLVPGEAR-UHFFFAOYSA-N
XLogP3.93
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.05
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide (CID 56848674) is N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide is COc1cccc2c1c(NS(=O)(=O)c1cccc(Cl)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1.
What is the InChIKey of N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is YCZOPYLLVPGEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O5S/c1-26(2,33)25(32)28-15-17-7-4-8-18(13-17)16-31-21-11-6-12-22(36-3)23(21)24(29-31)30-37(34,35)20-10-5-9-19(27)14-20/h4-14,33H,15-16H2,1-3H3,(H,28,32)(H,29,30).
What are the key properties of N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide?
N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 543.05 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 56848674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).