3-(4-bromoindol-1-yl)propane-1-sulfonamide

C11H13BrN2O2S — CID 66816578

IUPAC3-(4-bromoindol-1-yl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H13BrN2O2S/c12-10-3-1-4-11-9(10)5-7-14(11)6-2-8-17(13,15)16/h1,3-5,7H,2,6,8H2,(H2,13,15,16)
InChIKeyMMGMWRRGWBCLLW-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.08
Rot. Bonds4

About 3-(4-bromoindol-1-yl)propane-1-sulfonamide

3-(4-bromoindol-1-yl)propane-1-sulfonamide (PubChem CID 66816578) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 3-(4-bromoindol-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-bromoindol-1-yl)propane-1-sulfonamide
PubChem CID66816578
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name3-(4-bromoindol-1-yl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H13BrN2O2S/c12-10-3-1-4-11-9(10)5-7-14(11)6-2-8-17(13,15)16/h1,3-5,7H,2,6,8H2,(H2,13,15,16)
InChIKeyMMGMWRRGWBCLLW-UHFFFAOYSA-N
XLogP2.08
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoindol-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(4-bromoindol-1-yl)propane-1-sulfonamide (CID 66816578) is 3-(4-bromoindol-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(4-bromoindol-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(4-bromoindol-1-yl)propane-1-sulfonamide is NS(=O)(=O)CCCn1ccc2c(Br)cccc21.
What is the InChIKey of 3-(4-bromoindol-1-yl)propane-1-sulfonamide?
The InChIKey is MMGMWRRGWBCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c12-10-3-1-4-11-9(10)5-7-14(11)6-2-8-17(13,15)16/h1,3-5,7H,2,6,8H2,(H2,13,15,16).
What are the key properties of 3-(4-bromoindol-1-yl)propane-1-sulfonamide?
3-(4-bromoindol-1-yl)propane-1-sulfonamide has a molecular weight of 317.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoindol-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 66816578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).