2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol

C17H17NO3S — CID 506827

IUPAC2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H17NO3S/c1-17(2,19)15-12-18(16-11-7-6-10-14(15)16)22(20,21)13-8-4-3-5-9-13/h3-12,19H,1-2H3
InChIKeySKPXCCCAZXYYLS-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.11
Rot. Bonds3

About 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol

2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol (PubChem CID 506827) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol
PubChem CID506827
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H17NO3S/c1-17(2,19)15-12-18(16-11-7-6-10-14(15)16)22(20,21)13-8-4-3-5-9-13/h3-12,19H,1-2H3
InChIKeySKPXCCCAZXYYLS-UHFFFAOYSA-N
XLogP3.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol (CID 506827) is 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol is CC(C)(O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol?
The InChIKey is SKPXCCCAZXYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-17(2,19)15-12-18(16-11-7-6-10-14(15)16)22(20,21)13-8-4-3-5-9-13/h3-12,19H,1-2H3.
What are the key properties of 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol?
2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol has a molecular weight of 315.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)indol-3-yl]propan-2-ol is sourced from PubChem (CID 506827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).