5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide

C10H14BrNO3S2 — CID 61067742

IUPAC5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO3S2/c1-15-7-6-12(8-2-3-8)17(13,14)10-5-4-9(11)16-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyLOWBEBBTRCZSJR-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.31
Rot. Bonds6

About 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide

5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide (PubChem CID 61067742) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide
PubChem CID61067742
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO3S2/c1-15-7-6-12(8-2-3-8)17(13,14)10-5-4-9(11)16-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyLOWBEBBTRCZSJR-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide (CID 61067742) is 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide is COCCN(C1CC1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The InChIKey is LOWBEBBTRCZSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-15-7-6-12(8-2-3-8)17(13,14)10-5-4-9(11)16-10/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide?
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide has a molecular weight of 340.26 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61067742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).