1-prop-2-enylindole-3-sulfonyl chloride

C11H10ClNO2S — CID 82915352

IUPAC1-prop-2-enylindole-3-sulfonyl chloride
SMILESC=CCn1cc(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C11H10ClNO2S/c1-2-7-13-8-11(16(12,14)15)9-5-3-4-6-10(9)13/h2-6,8H,1,7H2
InChIKeyYCWBWIVLWRMCQS-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.75
Rot. Bonds3

About 1-prop-2-enylindole-3-sulfonyl chloride

1-prop-2-enylindole-3-sulfonyl chloride (PubChem CID 82915352) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 1-prop-2-enylindole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-prop-2-enylindole-3-sulfonyl chloride
PubChem CID82915352
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name1-prop-2-enylindole-3-sulfonyl chloride
SMILESC=CCn1cc(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C11H10ClNO2S/c1-2-7-13-8-11(16(12,14)15)9-5-3-4-6-10(9)13/h2-6,8H,1,7H2
InChIKeyYCWBWIVLWRMCQS-UHFFFAOYSA-N
XLogP2.75
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-prop-2-enylindole-3-sulfonyl chloride 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-Methylindole
CID 11781
1-Phenyl-1H-indole
CID 182029
1-(Phenylsulfonyl)-1H-indole
CID 315017
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
1-methyl-N,N-dimethyltryptamine
CID 25927
8-Quinolinesulfonyl chloride
CID 29220
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
3-(phenylsulfonyl)-1-(pyrrolidin-3-yl)-1H-indole
CID 9840311
2-(3-(phenylsulfonyl)-1H-indol-1-yl)ethanamine
CID 10017687
3-(phenylsulfonyl)-1-(piperidin-3-yl)-1H-indole
CID 10042892
3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole
CID 10246639

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylindole-3-sulfonyl chloride?
The IUPAC name of 1-prop-2-enylindole-3-sulfonyl chloride (CID 82915352) is 1-prop-2-enylindole-3-sulfonyl chloride.
What is the SMILES notation for 1-prop-2-enylindole-3-sulfonyl chloride?
The canonical SMILES for 1-prop-2-enylindole-3-sulfonyl chloride is C=CCn1cc(S(=O)(=O)Cl)c2ccccc21.
What is the InChIKey of 1-prop-2-enylindole-3-sulfonyl chloride?
The InChIKey is YCWBWIVLWRMCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-2-7-13-8-11(16(12,14)15)9-5-3-4-6-10(9)13/h2-6,8H,1,7H2.
What are the key properties of 1-prop-2-enylindole-3-sulfonyl chloride?
1-prop-2-enylindole-3-sulfonyl chloride has a molecular weight of 255.73 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylindole-3-sulfonyl chloride is sourced from PubChem (CID 82915352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).