2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide

C21H16ClN3O3S — CID 50914465

IUPAC2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3n[nH]c4ccccc34)c2)c(Cl)c1
InChIInChI=1S/C21H16ClN3O3S/c1-29(27,28)15-9-10-16(18(22)12-15)21(26)23-14-6-4-5-13(11-14)20-17-7-2-3-8-19(17)24-25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyHPHXQADHTWSRAW-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.54
Rot. Bonds4

About 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide

2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide (PubChem CID 50914465) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
PubChem CID50914465
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC Name2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3n[nH]c4ccccc34)c2)c(Cl)c1
InChIInChI=1S/C21H16ClN3O3S/c1-29(27,28)15-9-10-16(18(22)12-15)21(26)23-14-6-4-5-13(11-14)20-17-7-2-3-8-19(17)24-25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyHPHXQADHTWSRAW-UHFFFAOYSA-N
XLogP4.54
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797332
N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide
CID 70797328
N-[3-(1-benzothiophen-2-yl)phenyl]-2-chloro-4-methylsulfonylbenzamide
CID 142392205
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 74763767
2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
CID 141358125
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
CID 121004678
2-chloro-N-[3-[6-(diethylaminomethyl)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 74762772
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide
CID 70933812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide (CID 50914465) is 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3n[nH]c4ccccc34)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is HPHXQADHTWSRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-29(27,28)15-9-10-16(18(22)12-15)21(26)23-14-6-4-5-13(11-14)20-17-7-2-3-8-19(17)24-25-20/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide?
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 425.90 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 50914465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).