N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide

C22H16ClF3N4O3S — CID 167665832

IUPACN-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2c(F)c(-c3c(F)ccc(CS(=O)(=O)c4cc(Cl)cnc4C)c3F)ccc12
InChIInChI=1S/C22H16ClF3N4O3S/c1-10-17(7-13(23)8-27-10)34(32,33)9-12-3-6-16(24)18(19(12)25)14-4-5-15-21(20(14)26)29-30-22(15)28-11(2)31/h3-8H,9H2,1-2H3,(H2,28,29,30,31)
InChIKeySPXRVZAAEHVVEX-UHFFFAOYSA-N
MW508.91 g/mol
LogP4.94
Rot. Bonds5

About N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide

N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide (PubChem CID 167665832) has the molecular formula C22H16ClF3N4O3S and a molecular weight of 508.91 g/mol. Its IUPAC name is N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide
PubChem CID167665832
Molecular FormulaC22H16ClF3N4O3S
Molecular Weight508.91 g/mol
Exact Mass508.06
IUPAC NameN-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2c(F)c(-c3c(F)ccc(CS(=O)(=O)c4cc(Cl)cnc4C)c3F)ccc12
InChIInChI=1S/C22H16ClF3N4O3S/c1-10-17(7-13(23)8-27-10)34(32,33)9-12-3-6-16(24)18(19(12)25)14-4-5-15-21(20(14)26)29-30-22(15)28-11(2)31/h3-8H,9H2,1-2H3,(H2,28,29,30,31)
InChIKeySPXRVZAAEHVVEX-UHFFFAOYSA-N
XLogP4.94
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.91
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 163215253
CID 163215253
CID 170556406
CID 170556406
CID 172453099
CID 172453099
CID 167539830
CID 167539830
CID 167695891
CID 167695891
CID 167703375
CID 167703375
CID 177860564
CID 177860564
CID 177860569
CID 177860569

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide?
The IUPAC name of N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide (CID 167665832) is N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide.
What is the SMILES notation for N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide?
The canonical SMILES for N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide is CC(=O)Nc1n[nH]c2c(F)c(-c3c(F)ccc(CS(=O)(=O)c4cc(Cl)cnc4C)c3F)ccc12.
What is the InChIKey of N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide?
The InChIKey is SPXRVZAAEHVVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O3S/c1-10-17(7-13(23)8-27-10)34(32,33)9-12-3-6-16(24)18(19(12)25)14-4-5-15-21(20(14)26)29-30-22(15)28-11(2)31/h3-8H,9H2,1-2H3,(H2,28,29,30,31).
What are the key properties of N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide?
N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide has a molecular weight of 508.91 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-2,6-difluorophenyl]-7-fluoro-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 167665832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).