5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole

C13H16ClNO2S — CID 117176680

IUPAC5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
SMILESCC(C)S(=O)(=O)Cc1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C13H16ClNO2S/c1-9(2)18(16,17)8-12-7-10-6-11(14)4-5-13(10)15(12)3/h4-7,9H,8H2,1-3H3
InChIKeyPQLMOUFSUAOILW-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.15
Rot. Bonds3

About 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole

5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole (PubChem CID 117176680) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
PubChem CID117176680
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
SMILESCC(C)S(=O)(=O)Cc1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C13H16ClNO2S/c1-9(2)18(16,17)8-12-7-10-6-11(14)4-5-13(10)15(12)3/h4-7,9H,8H2,1-3H3
InChIKeyPQLMOUFSUAOILW-UHFFFAOYSA-N
XLogP3.15
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole 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

1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117185368
5-chloro-2-(ethylsulfonylmethyl)-1-methylindole
CID 117176679
1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
CID 117176675
1-(5-chloro-1-methylindol-2-yl)propan-2-amine
CID 82662230
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184
5-(5-chloro-1-methylindol-2-yl)pentyl-triphenylphosphanium
CID 122600319
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride
CID 118953926
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
(5-chloro-1-methylindol-2-yl)-triethylsilane
CID 167452826

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole?
The IUPAC name of 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole (CID 117176680) is 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole.
What is the SMILES notation for 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole?
The canonical SMILES for 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole is CC(C)S(=O)(=O)Cc1cc2cc(Cl)ccc2n1C.
What is the InChIKey of 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole?
The InChIKey is PQLMOUFSUAOILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c1-9(2)18(16,17)8-12-7-10-6-11(14)4-5-13(10)15(12)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole?
5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole has a molecular weight of 285.80 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole is sourced from PubChem (CID 117176680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).