3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide

C9H12BrNO2S2 — CID 61073735

IUPAC3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C9H12BrNO2S2/c1-6(7-2-3-7)11-15(12,13)9-8(10)4-5-14-9/h4-7,11H,2-3H2,1H3
InChIKeyGZEAVLOEAPXRLV-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.59
Rot. Bonds4

About 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide

3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide (PubChem CID 61073735) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
PubChem CID61073735
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C9H12BrNO2S2/c1-6(7-2-3-7)11-15(12,13)9-8(10)4-5-14-9/h4-7,11H,2-3H2,1H3
InChIKeyGZEAVLOEAPXRLV-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide (CID 61073735) is 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide is CC(NS(=O)(=O)c1sccc1Br)C1CC1.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide?
The InChIKey is GZEAVLOEAPXRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-6(7-2-3-7)11-15(12,13)9-8(10)4-5-14-9/h4-7,11H,2-3H2,1H3.
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide?
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide has a molecular weight of 310.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61073735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).