3-bromo-N,N-dipropylthiophene-2-sulfonamide

C10H16BrNO2S2 — CID 55136537

IUPAC3-bromo-N,N-dipropylthiophene-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H16BrNO2S2/c1-3-6-12(7-4-2)16(13,14)10-9(11)5-8-15-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyIFBLFSHMHOFGNB-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.32
Rot. Bonds6

About 3-bromo-N,N-dipropylthiophene-2-sulfonamide

3-bromo-N,N-dipropylthiophene-2-sulfonamide (PubChem CID 55136537) has the molecular formula C10H16BrNO2S2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-bromo-N,N-dipropylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N,N-dipropylthiophene-2-sulfonamide
PubChem CID55136537
Molecular FormulaC10H16BrNO2S2
Molecular Weight326.28 g/mol
Exact Mass324.98
IUPAC Name3-bromo-N,N-dipropylthiophene-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H16BrNO2S2/c1-3-6-12(7-4-2)16(13,14)10-9(11)5-8-15-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyIFBLFSHMHOFGNB-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dipropylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N,N-dipropylthiophene-2-sulfonamide (CID 55136537) is 3-bromo-N,N-dipropylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N,N-dipropylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N,N-dipropylthiophene-2-sulfonamide is CCCN(CCC)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N,N-dipropylthiophene-2-sulfonamide?
The InChIKey is IFBLFSHMHOFGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S2/c1-3-6-12(7-4-2)16(13,14)10-9(11)5-8-15-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 3-bromo-N,N-dipropylthiophene-2-sulfonamide?
3-bromo-N,N-dipropylthiophene-2-sulfonamide has a molecular weight of 326.28 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-dipropylthiophene-2-sulfonamide is sourced from PubChem (CID 55136537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).