3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide

C14H14BrNO2S2 — CID 61074037

IUPAC3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC(c1ccccc1)C1CC1)c1sccc1Br
InChIInChI=1S/C14H14BrNO2S2/c15-12-8-9-19-14(12)20(17,18)16-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,13,16H,6-7H2
InChIKeyBFGJKYPKLLFNML-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.94
Rot. Bonds5

About 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide

3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide (PubChem CID 61074037) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
PubChem CID61074037
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC Name3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC(c1ccccc1)C1CC1)c1sccc1Br
InChIInChI=1S/C14H14BrNO2S2/c15-12-8-9-19-14(12)20(17,18)16-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,13,16H,6-7H2
InChIKeyBFGJKYPKLLFNML-UHFFFAOYSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide (CID 61074037) is 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NC(c1ccccc1)C1CC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is BFGJKYPKLLFNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c15-12-8-9-19-14(12)20(17,18)16-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,13,16H,6-7H2.
What are the key properties of 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide?
3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 372.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61074037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).