1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol

C18H19NO3S — CID 59444295

IUPAC1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol
SMILESCCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(O)cc12
InChIInChI=1S/C18H19NO3S/c1-3-4-14-12-19(18-10-7-15(20)11-17(14)18)23(21,22)16-8-5-13(2)6-9-16/h5-12,20H,3-4H2,1-2H3
InChIKeyBUVJMMLGYZDQQH-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol

1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol (PubChem CID 59444295) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol
PubChem CID59444295
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol
SMILESCCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(O)cc12
InChIInChI=1S/C18H19NO3S/c1-3-4-14-12-19(18-10-7-15(20)11-17(14)18)23(21,22)16-8-5-13(2)6-9-16/h5-12,20H,3-4H2,1-2H3
InChIKeyBUVJMMLGYZDQQH-UHFFFAOYSA-N
XLogP3.84
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol 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

5-(benzenesulfinyl)-3-hexyl-1-(4-methylphenyl)sulfonylindole
CID 86221058
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 143660405
3-[1-(benzenesulfonyl)-5-methylindol-3-yl]propanoic acid
CID 18449981
N-[(2S)-2-[5-hydroxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
CID 125464001
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindol-5-ol
CID 142780064
6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 123815720
methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
CID 11538315
5-(bromomethyl)-3-(2,2-difluoroethyl)-1-(4-methylphenyl)sulfonylindole
CID 57386816
[(2Z)-2-cyano-2-[[3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-propylindol-5-yl]oxyphenyl]hydrazinylidene]acetyl]carbamic acid
CID 155268856
4-[6-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-N-methylbutanamide
CID 159825175
tert-butyl N-[2-[1-(4-methylphenyl)sulfonyl-5-phenylmethoxyindol-3-yl]ethyl]-N-[2-[1-(4-methylphenyl)sulfonyl-5-phenylmethoxyindol-3-yl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate
CID 102359411

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol (CID 59444295) is 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol is CCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(O)cc12.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol?
The InChIKey is BUVJMMLGYZDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-3-4-14-12-19(18-10-7-15(20)11-17(14)18)23(21,22)16-8-5-13(2)6-9-16/h5-12,20H,3-4H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol?
1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol has a molecular weight of 329.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol is sourced from PubChem (CID 59444295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).