4-chloro-6-methoxy-1-methylsulfonylindole

C10H10ClNO3S — CID 173185624

IUPAC4-chloro-6-methoxy-1-methylsulfonylindole
SMILESCOc1cc(Cl)c2ccn(S(C)(=O)=O)c2c1
InChIInChI=1S/C10H10ClNO3S/c1-15-7-5-9(11)8-3-4-12(10(8)6-7)16(2,13)14/h3-6H,1-2H3
InChIKeyTYKJJMHSCMJUTE-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.11
Rot. Bonds2

About 4-chloro-6-methoxy-1-methylsulfonylindole

4-chloro-6-methoxy-1-methylsulfonylindole (PubChem CID 173185624) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 4-chloro-6-methoxy-1-methylsulfonylindole.

Molecular Properties

Compound Name4-chloro-6-methoxy-1-methylsulfonylindole
PubChem CID173185624
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name4-chloro-6-methoxy-1-methylsulfonylindole
SMILESCOc1cc(Cl)c2ccn(S(C)(=O)=O)c2c1
InChIInChI=1S/C10H10ClNO3S/c1-15-7-5-9(11)8-3-4-12(10(8)6-7)16(2,13)14/h3-6H,1-2H3
InChIKeyTYKJJMHSCMJUTE-UHFFFAOYSA-N
XLogP2.11
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-methoxy-1-methylsulfonylindole 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

3-chloro-1-methylsulfonylindol-6-amine;hydrochloride
CID 139792749
4,6-dichloro-1-(2-methylsulfonylethyl)indole
CID 103428479
(4-bromo-1-methylsulfonylindol-6-yl)methanol
CID 139561490
1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
CID 24775196
1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
CID 71493853
(6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane
CID 102071663
3-chloro-2,5-dimethoxyphenol
CID 84661730
2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane
CID 161290040
(1-methylsulfonylindol-4-yl) acetate
CID 101057929
6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine
CID 174702855
4-chloro-6-methoxy-1-methylquinolin-2-one
CID 11673021
4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine
CID 118246593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-1-methylsulfonylindole?
The IUPAC name of 4-chloro-6-methoxy-1-methylsulfonylindole (CID 173185624) is 4-chloro-6-methoxy-1-methylsulfonylindole.
What is the SMILES notation for 4-chloro-6-methoxy-1-methylsulfonylindole?
The canonical SMILES for 4-chloro-6-methoxy-1-methylsulfonylindole is COc1cc(Cl)c2ccn(S(C)(=O)=O)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-1-methylsulfonylindole?
The InChIKey is TYKJJMHSCMJUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-15-7-5-9(11)8-3-4-12(10(8)6-7)16(2,13)14/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-1-methylsulfonylindole?
4-chloro-6-methoxy-1-methylsulfonylindole has a molecular weight of 259.71 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-1-methylsulfonylindole is sourced from PubChem (CID 173185624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).