4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole

C14H18ClNO2S — CID 117173790

IUPAC4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole
SMILESCCn1c(CS(=O)(=O)C(C)C)cc2c(Cl)cccc21
InChIInChI=1S/C14H18ClNO2S/c1-4-16-11(9-19(17,18)10(2)3)8-12-13(15)6-5-7-14(12)16/h5-8,10H,4,9H2,1-3H3
InChIKeyDBUPJJWCVJFRPQ-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.64
Rot. Bonds4

About 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole

4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole (PubChem CID 117173790) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole.

Molecular Properties

Compound Name4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole
PubChem CID117173790
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole
SMILESCCn1c(CS(=O)(=O)C(C)C)cc2c(Cl)cccc21
InChIInChI=1S/C14H18ClNO2S/c1-4-16-11(9-19(17,18)10(2)3)8-12-13(15)6-5-7-14(12)16/h5-8,10H,4,9H2,1-3H3
InChIKeyDBUPJJWCVJFRPQ-UHFFFAOYSA-N
XLogP3.64
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173788
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184
1-ethyl-2-(methylsulfonylmethyl)indol-4-amine
CID 117173779
1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine
CID 117194509
4-bromo-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173791
4-chloro-2-propan-2-yl-1-propylindole
CID 154695419
7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117183581
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
CID 117192971
5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117176680
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
(4-chloro-1-methylindol-2-yl)methanethiol
CID 117173500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole?
The IUPAC name of 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole (CID 117173790) is 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole.
What is the SMILES notation for 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole?
The canonical SMILES for 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole is CCn1c(CS(=O)(=O)C(C)C)cc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole?
The InChIKey is DBUPJJWCVJFRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c1-4-16-11(9-19(17,18)10(2)3)8-12-13(15)6-5-7-14(12)16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole?
4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole has a molecular weight of 299.82 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole is sourced from PubChem (CID 117173790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).