2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide

C21H17Cl2N3O4S — CID 123287107

IUPAC2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide
SMILESCOc1cccc(S(=O)(=O)N2NCc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc32)c1
InChIInChI=1S/C21H17Cl2N3O4S/c1-30-15-4-2-5-16(11-15)31(28,29)26-19-10-14(9-8-13(19)12-24-26)25-21(27)20-17(22)6-3-7-18(20)23/h2-11,24H,12H2,1H3,(H,25,27)
InChIKeyLYQIMBRVJVULST-UHFFFAOYSA-N
MW478.36 g/mol
LogP4.47
Rot. Bonds5

About 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide

2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide (PubChem CID 123287107) has the molecular formula C21H17Cl2N3O4S and a molecular weight of 478.36 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide
PubChem CID123287107
Molecular FormulaC21H17Cl2N3O4S
Molecular Weight478.36 g/mol
Exact Mass477.03
IUPAC Name2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide
SMILESCOc1cccc(S(=O)(=O)N2NCc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc32)c1
InChIInChI=1S/C21H17Cl2N3O4S/c1-30-15-4-2-5-16(11-15)31(28,29)26-19-10-14(9-8-13(19)12-24-26)25-21(27)20-17(22)6-3-7-18(20)23/h2-11,24H,12H2,1H3,(H,25,27)
InChIKeyLYQIMBRVJVULST-UHFFFAOYSA-N
XLogP4.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide
CID 69282260
2,6-difluoro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindazol-6-yl]benzamide
CID 90088438
N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide
CID 123619622
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2,6-dichloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 69282851
N-[3-bromo-1-(3-methylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-chloro-6-fluorobenzamide
CID 90088404
2,6-dichloro-N-[4-(4-chlorophenyl)sulfonyl-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
CID 69282410
1-[3-[[6-[2-(3,4-difluorophenyl)ethylamino]-2,3-dihydroindazol-1-yl]sulfonyl]phenyl]ethanone
CID 123959793
2,6-dichloro-N-[4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
CID 90085874
2,6-dichloro-N-[(3R)-1-(3-cyclopropylphenyl)sulfonyl-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 118055870

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide (CID 123287107) is 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide is COc1cccc(S(=O)(=O)N2NCc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc32)c1.
What is the InChIKey of 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide?
The InChIKey is LYQIMBRVJVULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4S/c1-30-15-4-2-5-16(11-15)31(28,29)26-19-10-14(9-8-13(19)12-24-26)25-21(27)20-17(22)6-3-7-18(20)23/h2-11,24H,12H2,1H3,(H,25,27).
What are the key properties of 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide?
2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide has a molecular weight of 478.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindazol-6-yl]benzamide is sourced from PubChem (CID 123287107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).