1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride

C12H13ClN2O3S — CID 82914753

IUPAC1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
SMILESCC(Cn1cc(S(=O)(=O)Cl)c2ccccc21)C(N)=O
InChIInChI=1S/C12H13ClN2O3S/c1-8(12(14)16)6-15-7-11(19(13,17)18)9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H2,14,16)
InChIKeyUOJHZFFXKBKGJY-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.69
Rot. Bonds4

About 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride

1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride (PubChem CID 82914753) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
PubChem CID82914753
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
SMILESCC(Cn1cc(S(=O)(=O)Cl)c2ccccc21)C(N)=O
InChIInChI=1S/C12H13ClN2O3S/c1-8(12(14)16)6-15-7-11(19(13,17)18)9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H2,14,16)
InChIKeyUOJHZFFXKBKGJY-UHFFFAOYSA-N
XLogP1.69
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride?
The IUPAC name of 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride (CID 82914753) is 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride?
The canonical SMILES for 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride is CC(Cn1cc(S(=O)(=O)Cl)c2ccccc21)C(N)=O.
What is the InChIKey of 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride?
The InChIKey is UOJHZFFXKBKGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8(12(14)16)6-15-7-11(19(13,17)18)9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H2,14,16).
What are the key properties of 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride?
1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride has a molecular weight of 300.77 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride is sourced from PubChem (CID 82914753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).