N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide

C23H21ClN4O4S2 — CID 59456023

IUPACN-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(C(C)=O)cccc32)c1
InChIInChI=1S/C23H21ClN4O4S2/c1-14(29)18-7-4-8-19-22(18)23(27-34(31,32)21-10-9-20(24)33-21)26-28(19)13-17-6-3-5-16(11-17)12-25-15(2)30/h3-11H,12-13H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyYKZJHVPUMKWJLG-UHFFFAOYSA-N
MW517.03 g/mol
LogP4.44
Rot. Bonds8

About N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide

N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 59456023) has the molecular formula C23H21ClN4O4S2 and a molecular weight of 517.03 g/mol. Its IUPAC name is N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID59456023
Molecular FormulaC23H21ClN4O4S2
Molecular Weight517.03 g/mol
Exact Mass516.07
IUPAC NameN-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(C(C)=O)cccc32)c1
InChIInChI=1S/C23H21ClN4O4S2/c1-14(29)18-7-4-8-19-22(18)23(27-34(31,32)21-10-9-20(24)33-21)26-28(19)13-17-6-3-5-16(11-17)12-25-15(2)30/h3-11H,12-13H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyYKZJHVPUMKWJLG-UHFFFAOYSA-N
XLogP4.44
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.03
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide (CID 59456023) is N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(C(C)=O)cccc32)c1.
What is the InChIKey of N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is YKZJHVPUMKWJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S2/c1-14(29)18-7-4-8-19-22(18)23(27-34(31,32)21-10-9-20(24)33-21)26-28(19)13-17-6-3-5-16(11-17)12-25-15(2)30/h3-11H,12-13H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide?
N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 517.03 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-acetyl-3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 59456023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).