3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide

C14H13BrFNO2S2 — CID 61072223

IUPAC3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H13BrFNO2S2/c15-13-7-8-20-14(13)21(18,19)17(12-5-6-12)9-10-1-3-11(16)4-2-10/h1-4,7-8,12H,5-6,9H2
InChIKeyOFYBLTKRNRYBKH-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.00
Rot. Bonds5

About 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide

3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 61072223) has the molecular formula C14H13BrFNO2S2 and a molecular weight of 390.30 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID61072223
Molecular FormulaC14H13BrFNO2S2
Molecular Weight390.30 g/mol
Exact Mass388.96
IUPAC Name3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H13BrFNO2S2/c15-13-7-8-20-14(13)21(18,19)17(12-5-6-12)9-10-1-3-11(16)4-2-10/h1-4,7-8,12H,5-6,9H2
InChIKeyOFYBLTKRNRYBKH-UHFFFAOYSA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 61072223) is 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(c1sccc1Br)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is OFYBLTKRNRYBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S2/c15-13-7-8-20-14(13)21(18,19)17(12-5-6-12)9-10-1-3-11(16)4-2-10/h1-4,7-8,12H,5-6,9H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 390.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61072223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).