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

C22H20ClFN4O4S2 — CID 59456019

IUPACN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1c(F)ccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1
InChIInChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(10-14)12-28-17-7-6-16(24)21(32-2)20(17)22(26-28)27-34(30,31)19-9-8-18(23)33-19/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyTVVJOUFRFOLJOS-UHFFFAOYSA-N
MW523.01 g/mol
LogP4.38
Rot. Bonds8

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

N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 59456019) has the molecular formula C22H20ClFN4O4S2 and a molecular weight of 523.01 g/mol. Its IUPAC name is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID59456019
Molecular FormulaC22H20ClFN4O4S2
Molecular Weight523.01 g/mol
Exact Mass522.06
IUPAC NameN-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1c(F)ccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1
InChIInChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(10-14)12-28-17-7-6-16(24)21(32-2)20(17)22(26-28)27-34(30,31)19-9-8-18(23)33-19/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyTVVJOUFRFOLJOS-UHFFFAOYSA-N
XLogP4.38
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.01
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-((3-((3-(((5-chloro-2-thienyl)sulfonyl)amino)-4-(methyloxy)-1H-indazol-1-yl)methyl)phenyl)methyl)-2-hydroxy-2-methylpropanamide
CID 46861584
N-[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]-2-hydroxyacetamide
CID 71462571
N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
CID 56848674
(3S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]morpholine-3-carboxamide
CID 58054368
(3R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]morpholine-3-carboxamide
CID 58054475
3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 58054487
N-[(4-{[3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazol-1-yl]methyl}phenyl)methyl]acetamide
CID 58054491
N-[1-{[3,4-Bis(methyloxy)phenyl]methyl}-4-(methyloxy)-1H-indazol-3-yl]-5-chloro-2-thiophenesulfonamide
CID 58054516
3-{[3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazol-1-yl]methyl}-N-methylbenzamide
CID 58054532
5-chloro-N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
CID 59455973
N-[1-{[3-(aminomethyl)phenyl]methyl}-4-(methyloxy)-1H-indazol-3-yl]-5-chloro-2-thiophenesulfonamide
CID 59455974
(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)propanamide
CID 59455988

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]acetamide?
The IUPAC name of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide (CID 59456019) is N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide is COc1c(F)ccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(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]acetamide?
The InChIKey is TVVJOUFRFOLJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(10-14)12-28-17-7-6-16(24)21(32-2)20(17)22(26-28)27-34(30,31)19-9-8-18(23)33-19/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide?
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 523.01 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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]acetamide is sourced from PubChem (CID 59456019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).