6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole

C23H20ClNO3S — CID 141441909

IUPAC6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole
SMILESCOc1cccc(S(=O)(=O)n2ccc3ccc(Cc4ccc(C)cc4Cl)cc32)c1
InChIInChI=1S/C23H20ClNO3S/c1-16-6-8-19(22(24)12-16)13-17-7-9-18-10-11-25(23(18)14-17)29(26,27)21-5-3-4-20(15-21)28-2/h3-12,14-15H,13H2,1-2H3
InChIKeyYCZZWAZFXNHMOO-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.44
Rot. Bonds5

About 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole

6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole (PubChem CID 141441909) has the molecular formula C23H20ClNO3S and a molecular weight of 425.94 g/mol. Its IUPAC name is 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole.

Molecular Properties

Compound Name6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole
PubChem CID141441909
Molecular FormulaC23H20ClNO3S
Molecular Weight425.94 g/mol
Exact Mass425.09
IUPAC Name6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole
SMILESCOc1cccc(S(=O)(=O)n2ccc3ccc(Cc4ccc(C)cc4Cl)cc32)c1
InChIInChI=1S/C23H20ClNO3S/c1-16-6-8-19(22(24)12-16)13-17-7-9-18-10-11-25(23(18)14-17)29(26,27)21-5-3-4-20(15-21)28-2/h3-12,14-15H,13H2,1-2H3
InChIKeyYCZZWAZFXNHMOO-UHFFFAOYSA-N
XLogP5.44
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(3-methoxyphenyl)sulfonylindole
CID 157094822
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole
CID 141441936
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 141441884
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole
CID 141441934
1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
CID 71493853
3-(5-methoxyindol-1-yl)sulfonylaniline
CID 71494345
2-bromo-1-(3-methoxyphenyl)sulfonyl-4-methylpyrrole
CID 175217453
N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-[(4-methylphenyl)methyl]piperazine-2,3-dione
CID 53084939
N-[3-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;phosphoric acid
CID 71455477
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole?
The IUPAC name of 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole (CID 141441909) is 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole.
What is the SMILES notation for 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole?
The canonical SMILES for 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole is COc1cccc(S(=O)(=O)n2ccc3ccc(Cc4ccc(C)cc4Cl)cc32)c1.
What is the InChIKey of 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole?
The InChIKey is YCZZWAZFXNHMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3S/c1-16-6-8-19(22(24)12-16)13-17-7-9-18-10-11-25(23(18)14-17)29(26,27)21-5-3-4-20(15-21)28-2/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole?
6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole has a molecular weight of 425.94 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole is sourced from PubChem (CID 141441909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).